Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.58 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.58 |
| ▸ | MDM4 | O15151 | 1/20 | 0.56 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.56 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.54 |
| ▸ | LNPEP | Q9UIQ6 | 3/20 | 0.53 |
| ▸ | TSHR | P16473 | 1/20 | 0.53 |
| ▸ | MIF | P14174 | 2/20 | 0.50 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | ELANE | P08246 | 1/20 | 0.47 |
| ▸ | KDR | P35968 | 1/20 | 0.46 |
| ▸ | CTSS | P25774 | 1/20 | 0.46 |
| ▸ | CTSK | P43235 | 1/20 | 0.46 |
| ▸ | ERAP2 | Q6P179 | 2/20 | 0.45 |
| ▸ | ERAP1 | Q9NZ08 | 1/20 | 0.45 |
| ▸ | FOLH1 | Q04609 | 1/20 | 0.44 |
| ▸ | ATM | Q13315 | 1/20 | 0.44 |
| ▸ | MME | P08473 | 1/20 | 0.44 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL21282538 | 1.00 | ESR1 (0.58) | ESR1ESR2MDM4MDM2NPSR1 | |
| SCHEMBL2058953 | 1.00 | ESR1 (0.58) | ESR1ESR2MDM4MDM2NPSR1 | |
| SCHEMBL19276022 | 0.89 | CTSS (0.52) | ESR1ESR2MDM4MDM2NPSR1 | |
| Hydrochloric Acid SCHEMBL7693370 | 0.88 | CTSS (0.51) | ESR1ESR2MDM4MDM2NPSR1 | |
| Hydrochloric Acid SCHEMBL7693369 | 0.88 | CTSS (0.51) | ESR1ESR2MDM4MDM2NPSR1 | |
| SCHEMBL2622202 | 0.85 | ATM (0.60) | KMT2AALDH1A1ATM | |
| SCHEMBL953389 | 0.85 | FOLH1 (0.56) | ESR1ESR2MDM4MDM2KMT2A | |
| SCHEMBL16863786 | 0.85 | ESR1 (0.51) | ESR1ESR2MDM4MDM2NPSR1 | |
| SCHEMBL29163852 | 0.85 | ACE (0.49) | ESR1ESR2MDM4MDM2LNPEP | |
| SCHEMBL838885 | 0.85 | FOLH1 (0.56) | ESR1ESR2MDM4MDM2KMT2A |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 136 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7973044-B2 | Heteroaryl, heterocyclic and aryl compounds which inhibit leukocyte adhesion mediated by VLA-4 | ELAN PHARMACEUTICALS, INC. (US) | 2011-07-05 | — | — | US | disclosed |
| US-7968547-B2 | Heteroaryl, heterocyclic and aryl compounds which inhibit leukocyte adhesion mediated by VLA-4 | ELAN PHARMACEUTICALS, INC. (US) | 2011-06-28 | — | — | US | disclosed |
| US-7745454-B2 | Alpha amino acid derivatives-inhibitors of leukocyte adhesion mediated by VLA-4 | ELAN PHARMACEUTICALS, INC. (US) | 2010-06-29 | — | — | US | disclosed |
| US-20100160343-A1 | HETEROARYL, HETEROCYCLIC AND ARYL COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 | ELAN PHARMACEUTICALS, INC. | 2010-06-24 | — | — | US | disclosed |
| US-20100160341-A1 | HETEROARYL, HETEROCYCLIC AND ARYL COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 | ELAN PHARMACEUTICALS, INC. | 2010-06-24 | — | — | US | disclosed |
| US-7741328-B2 | Treating inflammatory diseases such as rheumatoid arthritis, multiple sclerosis or Crohn's disease; Very Late Antigen-4 (VLA-4), also called alpha 4 beta 1 integrin; N-(sulfonamido-substituted pyrimidyl, pyridyl or pyrazyl)-L-4-(N,N-dimethylcarbamyloxy)phenylalanine compounds | ELAN PHARMACEUTICALS, INC. (US) | 2010-06-22 | — | — | US | disclosed |
| EP-1144388-B1 | ACYL DERIVATIVES WHICH TREAT VLA-4 RELATED DISORDERS | ELAN PHARM INC (US) | 2010-01-13 | — | — | EP | disclosed |
| US-7635775-B2 | Sulfonylquinoxalone derivatives and related compounds as bradykinin antagonists | ELAN PHARMACEUTICALS, INC. (US) | 2009-12-22 | — | — | US | disclosed |
| US-7605166-B2 | Synergistic mixture of methotrexate and integrin antigen or antibody | ELAN PHARMACEUTICALS INC. (US) | 2009-10-20 | — | — | US | disclosed |
| US-7576101-B2 | Using sulfonamides such as N-[N-(3-pyridinesulfonyl)-L-3,3-dimethyl-4-thiaprolyl]-O-[1-methylpiperazin-4-ylcarbonyl]-L-tyrosine isopropyl ester optionally with immunoglobulins, steroids, antiinflammatory agents | ELAN PHARMACEUTICALS, INC. (US) | 2009-08-18 | — | — | US | disclosed |
| EP-1001972-A1 | SUBSTITUTED PHENYLALANINE TYPE COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 | Elan Pharmaceuticals, Inc. (US) | 2000-05-24 | — | — | EP | disclosed |
| EP-1001971-A1 | DIPEPTIDE AND RELATED COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 | Elan Pharmaceuticals, Inc. (US) | 2000-05-24 | — | — | EP | disclosed |
| EP-0994895-A1 | DIPEPTIDE COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 | Elan Pharmaceuticals, Inc. (US) | 2000-04-26 | — | — | EP | disclosed |
| EP-0994896-A1 | SULFONYLATED DIPEPTIDE COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 | Elan Pharmaceuticals, Inc. (US) | 2000-04-26 | — | — | EP | disclosed |
| WO-1999006434-A1 | 4-AMINO-PHENYLALANINE TYPE COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 | ELAN PHARMACEUTICALS INC. (US) | 1999-02-11 | — | — | WO | disclosed |
| WO-1999006437-A1 | SULFONYLATED DIPEPTIDE COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 | ELAN PHARMACEUTICALS INC. (US) | 1999-02-11 | — | — | WO | disclosed |
| WO-1999006435-A1 | DIPEPTIDE COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 | ELAN PHARMACEUTICALS, INC. (US) | 1999-02-11 | — | — | WO | disclosed |
| WO-1999006436-A1 | BENZYL COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 | ELAN PHARMACEUTICALS, INC. (US) | 1999-02-11 | — | — | WO | disclosed |
| WO-1999006432-A1 | DIPEPTIDE AND RELATED COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 | ELAN PHARMACEUTICALS, INC. (US) | 1999-02-11 | — | — | WO | disclosed |
| WO-1999006431-A1 | SUBSTITUTED PHENYLALANINE TYPE COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 | ELAN PHARMACEUTICALS, INC. (US) | 1999-02-11 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20100160341-A1 | HETEROARYL, HETEROCYCLIC AND ARYL COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 | VCAM1, ICAM1, ITGB4 | ESR1 2449/4885ESR2 1224/4885MDM4 709/4885 |
| US-20100160343-A1 | HETEROARYL, HETEROCYCLIC AND ARYL COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 | VCAM1, ICAM1, ITGB4 | ESR1 2449/4885ESR2 1224/4885MDM4 709/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.