Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACE | P12821 | 6/20 | 0.62 |
| ▸ | ITGB3 | P05106 | 9/20 | 0.38 |
| ▸ | ITGAV | P06756 | 3/20 | 0.38 |
| ▸ | ITGA2B | P08514 | 6/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | FOLH1 | Q04609 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL5109105 | 0.81 | ACE (0.62) | ACEITGB3ITGAVITGA2BLMNA | |
| SCHEMBL2080636 | 0.80 | ACE (0.70) | ACEITGB3ITGA2BLMNAPOLB | |
| SCHEMBL10870109 | 0.78 | ACE (0.72) | ACEITGB3ITGA2BPOLBCYP2D6 | |
| SCHEMBL11055310 | 0.77 | ACE (1.00) | ACEPOLBCYP2D6CYP2C9CYP2C19 | |
| SCHEMBL7347864 | 0.74 | ACE (0.52) | ACEITGB3ITGAVITGA2B | |
| SCHEMBL10869405 | 0.73 | ACE (0.56) | ACELMNAPOLBCYP2D6CYP2C9 | |
| SCHEMBL10371338 | 0.73 | ACE (0.64) | ACELMNAPOLBCYP2D6CYP2C9 | |
| SCHEMBL6548967 | 0.73 | ACE (0.59) | ACELMNAPOLBCYP2D6CYP2C9 | |
| SCHEMBL7274902 | 0.71 | ACE (0.49) | ACE | |
| SCHEMBL5108569 | 0.71 | ACE (0.65) | ACEPOLBCYP2D6CYP2C9CYP2C19 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0934305-A4 | INTEGRIN ANTAGONISTS | MERCK & CO INC (US) | 2001-04-11 | — | — | EP | disclosed |
| US-6211184-B1 | TETRAHYDRO-PYRAZINE OR PYRIMIDINE DERIVATIVES; VITRONECTIN RECEPTOR ANTAGONIST; OSTEOPOROSIS; ANTIINFLAMMATORY, ANTITUMOR AGENTS; ANGIOGENESIS AND RESTENOSIS INHIBITORS | MERCK & CO., INC. | 2001-04-03 | — | — | US | disclosed |
| US-5981546-A | Integrin antagonists | MERCK & CO., INC. (US) | 1999-11-09 | — | — | US | disclosed |
| EP-0934305-A1 | INTEGRIN ANTAGONISTS | Merck & Co., Inc. (US) | 1999-08-11 | — | — | EP | disclosed |
| WO-1998046220-A1 | COMBINATION THERAPY FOR THE PREVENTION AND TREATMENT OF OSTEOPOROSIS | MERCK & CO., INC. (US) | 1998-10-22 | — | — | WO | disclosed |
| WO-1998008840-A1 | INTEGRIN ANTAGONISTS | MERCK & CO., INC. (US) | 1998-03-05 | — | — | WO | disclosed |