Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A1 | P04798 | 1/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.55 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.55 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.55 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.55 |
| ▸ | CYP4B1 | P13584 | 1/20 | 0.55 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.55 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.55 |
| ▸ | CYP2A7 | P20853 | 1/20 | 0.55 |
| ▸ | CYP3A7 | P24462 | 1/20 | 0.55 |
| ▸ | CYP2F1 | P24903 | 1/20 | 0.55 |
| ▸ | CYP2C18 | P33260 | 1/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.55 |
| ▸ | CYP2J2 | P51589 | 1/20 | 0.55 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.55 |
| ▸ | CYP4F8 | P98187 | 1/20 | 0.55 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL8987283 | 0.85 | CYP1A1 (0.74) | CYP1A1CYP1A2CYP2E1CYP3A4CYP2C8 | |
| SCHEMBL2407878 | 0.85 | CYP1A1 (0.74) | CYP1A1CYP1A2CYP2E1CYP3A4CYP2C8 | |
| SCHEMBL21589900 | 0.82 | ABL1 (0.50) | CYP1A1CYP1A2CYP2E1CYP3A4CYP2C8 | |
| SCHEMBL26498789 | 0.81 | CYP1A1 (0.83) | CYP1A1CYP1A2CYP2E1CYP3A4CYP2C8 | |
| SCHEMBL26498734 | 0.81 | CYP1A1 (0.83) | CYP1A1CYP1A2CYP2E1CYP3A4CYP2C8 | |
| SCHEMBL26498639 | 0.81 | CYP1A1 (0.83) | CYP1A1CYP1A2CYP2E1CYP3A4CYP2C8 | |
| SCHEMBL21586168 | 0.81 | ABL1 (0.48) | CYP1A1CYP1A2CYP2E1CYP3A4CYP2C8 | |
| SCHEMBL27852526 | 0.81 | ABL1 (0.44) | CYP1A1CYP1A2CYP2E1CYP3A4CYP2C8 | |
| SCHEMBL16290889 | 0.80 | CYP1A1 (0.56) | CYP1A1CYP1A2CYP2E1CYP3A4CYP2C8 | |
| SCHEMBL26226381 | 0.80 | CYP1A1 (0.61) | CYP1A1CYP1A2CYP2E1CYP3A4CYP2C8 |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1034164-B1 | SUBSTITUTED BETA-ALANINE DERIVATIVES AS CELL ADHESION INHIBITORS | MERCK & CO INC (US) | 2004-05-19 | — | — | EP | claimed |
| EP-1034164-A4 | SUBSTITUTED BETA-ALANINE DERIVATIVES AS CELL ADHESION INHIBITORS | MERCK & CO INC (US) | 2001-07-11 | — | — | EP | claimed |
| EP-1034164-A1 | SUBSTITUTED BETA-ALANINE DERIVATIVES AS CELL ADHESION INHIBITORS | Merck & Co., Inc. (US) | 2000-09-13 | — | — | EP | claimed |
| WO-1999026921-A1 | SUBSTITUTED β-ALANINE DERIVATIVES AS CELL ADHESION INHIBITORS | MERCK & CO., INC. (US) | 1999-06-03 | — | — | WO | claimed |
| EP-1034164-B1 | SUBSTITUTED BETA-ALANINE DERIVATIVES AS CELL ADHESION INHIBITORS | MERCK & CO INC (US) | 2004-05-19 | — | — | EP | disclosed |
| US-6645939-B1 | Very late antigen-4 (VLA) integrin antagonists; antiallergens, antiasthmatics, and antiinflammatory agents; multiple sclerosis, autoimmune disease treatment | MERCK & CO., INC. | 2003-11-11 | — | — | US | disclosed |
| EP-1034164-A4 | SUBSTITUTED BETA-ALANINE DERIVATIVES AS CELL ADHESION INHIBITORS | MERCK & CO INC (US) | 2001-07-11 | — | — | EP | disclosed |
| WO-2000071572-A1 | SUBSTITUTED BETA-ALANINE DERIVATIVES AS CELL ADHESION INHIBITORS | MERCK & CO., INC. (US) | 2000-11-30 | — | — | WO | disclosed |
| EP-1034164-A1 | SUBSTITUTED BETA-ALANINE DERIVATIVES AS CELL ADHESION INHIBITORS | Merck & Co., Inc. (US) | 2000-09-13 | — | — | EP | disclosed |
| WO-1999026921-A1 | SUBSTITUTED β-ALANINE DERIVATIVES AS CELL ADHESION INHIBITORS | MERCK & CO., INC. (US) | 1999-06-03 | — | — | WO | disclosed |