Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B1 | P15538 | 17/20 | 0.51 |
| ▸ | CYP11B2 | P19099 | 15/20 | 0.51 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.43 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.41 |
| ▸ | TBXAS1 | P24557 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | QPCT | Q16769 | 1/20 | 0.41 |
| ▸ | CYP4Z1 | Q86W10 | 1/20 | 0.41 |
| ▸ | QPCTL | Q9NXS2 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL7390725 | 0.88 | CYP11B1 (0.62) | CYP11B1CYP11B2CYP17A1CYP19A1TBXAS1 | |
| SCHEMBL7389176 | 0.80 | CYP19A1 (0.47) | CYP11B1CYP11B2CYP17A1CYP19A1TBXAS1 | |
| SCHEMBL6637618 | 0.77 | CHRNB2 (0.50) | — | |
| SCHEMBL7385735 | 0.77 | CHRNB2 (0.47) | CYP1A2CYP3A4 | |
| SCHEMBL7391276 | 0.76 | CYP11B1 (0.47) | CYP11B1CYP11B2CYP17A1CYP19A1TBXAS1 | |
| SCHEMBL7391205 | 0.76 | CHRNB2 (0.49) | CYP2D6 | |
| SCHEMBL7395139 | 0.74 | MKNK1 (0.43) | CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL8195408 | 0.73 | CYP2A6 (0.41) | CYP11B1CYP11B2CYP19A1CYP1A2CYP3A4 | |
| SCHEMBL6331673 | 0.72 | CYP2A6 (0.48) | CYP11B1CYP1A2CYP3A4CYP2D6MAPT | |
| SCHEMBL7952212 | 0.70 | CYP2A6 (0.49) | CYP11B1CYP11B2CYP17A1CYP19A1CYP1A2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6060491-A | ANTICOAGULANTS; THROMBOEMBOLIC DISORDERS; PROPHYLAXIS | DUPONT PHARMACEUTICALS (US) | 2000-05-09 | — | — | US | disclosed |
| EP-0993448-A1 | (AMIDINO)6-MEMBERED AROMATICS AS FACTOR Xa INHIBITORS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 2000-04-19 | — | — | EP | disclosed |
| US-5998424-A | ANTICOAGULANTS | DUPONT PHARMACEUTICALS COMPANY (US) | 1999-12-07 | — | — | US | disclosed |
| WO-1998057934-A1 | (AMIDINO)6-MEMBERED AROMATICS AS FACTOR Xa INHIBITORS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1998-12-23 | — | — | WO | disclosed |