Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGA4 | P13612 | 2/20 | 0.59 |
| ▸ | ITGB7 | P26010 | 2/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | TACR1 | P25103 | 1/20 | 0.42 |
| ▸ | OPRK1 | P41145 | 5/20 | 0.41 |
| ▸ | ACE | P12821 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | FPR2 | P25090 | 1/20 | 0.38 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.38 |
| ▸ | KLK5 | Q9Y337 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL7445887 | 1.00 | ITGA4 (0.59) | ITGA4ITGB7ALDH1A1GAATACR1 | |
| SCHEMBL2386586 | 0.96 | ITGA4 (0.56) | ITGA4ITGB7ALDH1A1GAATACR1 | |
| SCHEMBL7389438 | 0.94 | ITGA4 (0.55) | ITGA4ITGB7ALDH1A1GAATACR1 | |
| SCHEMBL2386899 | 0.93 | ITGA4 (0.53) | ITGA4ITGB7ALDH1A1GAATACR1 | |
| SCHEMBL2387711 | 0.87 | ITGA4 (0.48) | ITGA4ITGB7ALDH1A1GAATACR1 | |
| SCHEMBL2385811 | 0.87 | ITGA4 (0.46) | ITGA4ITGB7ALDH1A1GAAMEN1 | |
| SCHEMBL2387173 | 0.87 | ITGA4 (0.48) | ITGA4ITGB7ALDH1A1GAATACR1 | |
| SCHEMBL2385485 | 0.86 | ITGA4 (0.49) | ITGA4ITGB7ALDH1A1ACEMEN1 | |
| SCHEMBL2386839 | 0.86 | ITGA4 (0.47) | ITGA4ITGB7ALDH1A1GAAACE | |
| SCHEMBL2386831 | 0.85 | ITGA4 (0.47) | ITGA4ITGB7ALDH1A1GAATACR1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6191171-B1 | ANTAGONISTS, USEFUL IN INHIBITION OR PREVENTION OF CELL ADHESION AND CELL-ADHESION MEDIATED PATHOLOGIES; FOR DRUGS FOR TREATMENT OF ASTHMA, ALLERGIES, INFLAMMATION, MULTIPLE SCLEROSIS, AND OTHER INFLAMMATORY AND AUTOIMMUNE DISORDERS | MERCK & CO., INC. | 2001-02-20 | — | — | US | disclosed |
| WO-1999026923-A1 | PARA-AMINOMETHYLARYL CARBOXAMIDE DERIVATIVES | MERCK & CO., INC. (US) | 1999-06-03 | — | — | WO | disclosed |