Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | HRH1 | P35367 | 3/20 | 0.34 |
| ▸ | CCR3 | P51677 | 3/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.34 |
| ▸ | F10 | P00742 | 4/20 | 0.33 |
| ▸ | PLG | P00747 | 4/20 | 0.33 |
| ▸ | PRSS1 | P07477 | 4/20 | 0.33 |
| ▸ | PRSS2 | P07478 | 4/20 | 0.33 |
| ▸ | PRSS3 | P35030 | 4/20 | 0.33 |
| ▸ | HTR2A | P28223 | 3/20 | 0.33 |
| ▸ | F2 | P00734 | 3/20 | 0.33 |
| ▸ | HTR2C | P28335 | 2/20 | 0.33 |
| ▸ | ACACB | O00763 | 1/20 | 0.33 |
| ▸ | FPR2 | P25090 | 1/20 | 0.33 |
| ▸ | PROKR1 | Q8TCW9 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.33 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7323301 | 0.93 | HRH1 (0.38) | CYP2D6HRH1CCR3KCNH2HTR2A | |
| SCHEMBL7189923 | 0.86 | POLB (0.34) | ALDH1A1TP53ALOX15MAPK1NPSR1 | |
| SCHEMBL6712432 | 0.83 | MAPK1 (0.38) | ALDH1A1PKMTP53ALOX15MAPK1 | |
| SCHEMBL7318412 | 0.82 | ALDH1A1 (0.37) | ALDH1A1PKM | |
| SCHEMBL6709476 | 0.82 | MAPT (0.46) | ALDH1A1PKMTP53MAPK1NPSR1 | |
| SCHEMBL3852759 | 0.80 | P2RX7 (0.37) | ALDH1A1TP53ALOX15MAPK1NPSR1 | |
| SCHEMBL3848898 | 0.80 | ITGB1 (0.38) | ALDH1A1TP53ALOX15MAPK1NPSR1 | |
| SCHEMBL7314567 | 0.79 | CYP2D6 (0.34) | CYP2D6HRH1CCR3KCNH2F10 | |
| SCHEMBL7174955 | 0.77 | KMT2A (0.42) | ALDH1A1PKMTP53MAPK1NPSR1 | |
| SCHEMBL6714501 | 0.77 | CA9 (0.38) | ALDH1A1MAPK1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1001972-A1 | SUBSTITUTED PHENYLALANINE TYPE COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 | Elan Pharmaceuticals, Inc. (US) | 2000-05-24 | — | — | EP | claimed |
| WO-1999006431-A1 | SUBSTITUTED PHENYLALANINE TYPE COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 | ELAN PHARMACEUTICALS, INC. (US) | 1999-02-11 | — | — | WO | claimed |
| US-6492421-B1 | BINDING VERY LATE ANTIGEN-4; INFLAMMATORY DISEASES SUCH AS ASTHMA, ALZHEIMER'S DISEASE, ATHEROSCLEROSIS, AIDS, DEMENTIA, DIABETES, INFLAMMATORY BOWEL DISEASE, RHEUMATOID ARTHRITIS, TISSUE TRANSPLANTATION, TUMOR METASTASIS, MYOCARDIAL ISCHEMIA | ATHENA NEUROSCIENCES, INC. | 2002-12-10 | — | — | 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 |
| WO-1999006431-A1 | SUBSTITUTED PHENYLALANINE TYPE COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 | ELAN PHARMACEUTICALS, INC. (US) | 1999-02-11 | — | — | WO | disclosed |