Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSC | P53634 | 4/20 | 0.61 |
| ▸ | HTR2C | P28335 | 1/20 | 0.54 |
| ▸ | HTR2B | P41595 | 1/20 | 0.54 |
| ▸ | TACR1 | P25103 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | ACE | P12821 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | MBTPS1 | Q14703 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.45 |
| ▸ | TYR | P14679 | 1/20 | 0.45 |
| ▸ | S1PR4 | O95977 | 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 | |
|---|---|---|---|---|
| SCHEMBL31332188 | 1.00 | CTSC (0.61) | CTSCHTR2CHTR2BTACR1CYP3A4 | |
| SCHEMBL27534677 | 1.00 | CTSC (0.61) | CTSCHTR2CHTR2BTACR1CYP3A4 | |
| SCHEMBL21704502 | 0.96 | CTSC (0.57) | CTSCHTR2CHTR2BTACR1CYP3A4 | |
| SCHEMBL31195775 | 0.91 | CTSC (0.56) | CTSCHTR2CHTR2BCYP3A4CYP1A2 | |
| SCHEMBL26510556 | 0.89 | CTSC (0.63) | CTSCHTR2CHTR2BCYP3A4CYP1A2 | |
| SCHEMBL30487484 | 0.89 | HTR2C (0.53) | CTSCHTR2CHTR2BTACR1ACE | |
| Bromide SCHEMBL11306409 | 0.89 | CTSC (0.51) | CTSCHTR2CHTR2B | |
| Bromide SCHEMBL11306636 | 0.89 | CTSC (0.51) | CTSCHTR2CHTR2B | |
| Hydrochloric Acid SCHEMBL10520881 | 0.88 | CTSC (0.61) | CTSCHTR2CHTR2BCYP3A4CYP1A2 | |
| Hydrochloric Acid SCHEMBL10520878 | 0.88 | CTSC (0.61) | CTSCHTR2CHTR2BCYP3A4CYP1A2 |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-5086096-A | — | — | None | — | — | JP | disclosed |
| US-7166580-B2 | Compounds which inhibit leukocyte adhesion mediated by VLA-4 | ELAN PHARMACEUTICALS, INC. (US) | 2007-01-23 | — | — | US | disclosed |
| US-20030166575-A1 | Compounds which inhibit leukocyte adhesion mediated by VLA-4 | BIOGEN MA INC. | 2003-09-04 | — | — | US | disclosed |
| US-6586602-B2 | CD antigen antagonists such as N-(methanesulfonyl)-L-prolyl-L-phenylalanine and prodrugs used as antiinflammatory agents | BIOGEN IDEC INTERNATIONAL HOLDING LTD. (BM) | 2003-07-01 | — | — | US | disclosed |
| US-6559127-B1 | Intercellular adhesion mediated by VLA-4 and other cell surface receptors is associated with a number of inflammatory responses | ATHENA NEUROSCIENCES, INC. | 2003-05-06 | — | — | US | disclosed |
| US-20030065193-A1 | Benzyl compounds which inhibit leukocyte adhesion mediated by VLA-4 | BIOGEN IDEC INTERNATIONAL HOLDING LTD. (BM) | 2003-04-03 | — | — | US | disclosed |
| US-6362341-B1 | ANTIINFLAMMATORY AGENTS | ATHENA NEUROSCIENCES, INC. | 2002-03-26 | — | — | US | disclosed |
| CN-1265669-A | Compounds that inhibit leukocyte adhesion mediated by VLA-4 | ELAND PHARMACEUTICALS CO (US) | 2000-09-06 | — | — | CN | disclosed |
| CN-1265675-A | Benzyl compounds which inhibit leukocyte adhesion mediated by VLA-4 | ELAND PHARMACEUTICALS CO (US) | 2000-09-06 | — | — | CN | disclosed |
| EP-1001975-A1 | BENZYL COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 | Elan Pharmaceuticals, Inc. (US) | 2000-05-24 | — | — | EP | disclosed |
| WO-1999006436-A1 | BENZYL COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 | ELAN PHARMACEUTICALS, INC. (US) | 1999-02-11 | — | — | WO | disclosed |
| JP-H0586096-A | DIDEOXYNUCLEOTIDE PEPTIDE DERIVATIVE AND ANTI-HIV AGENT CONTAINING THE SAME | FUJI YAKUHIN KOGYO KK | 1993-04-06 | — | — | JP | disclosed |
| JP-H00586096-A | — | — | 0001-01-01 | — | — | JP | 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-20030065193-A1 | Benzyl compounds which inhibit leukocyte adhesion mediated by VLA-4 | VCAM1, ICAM1, ITGB4 | CTSC 2982/4885HTR2C 3963/4885HTR2B 1734/4885 |
| US-20030166575-A1 | Compounds which inhibit leukocyte adhesion mediated by VLA-4 | VCAM1, ICAM1, CD4 | CTSC 2648/4885HTR2C 4281/4885HTR2B 2652/4885 |
“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.