Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.40 |
| ▸ | THPO | P40225 | 1/20 | 0.40 |
| ▸ | BLM | P54132 | 1/20 | 0.39 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.39 |
| ▸ | CYP2E1 | P05181 | 3/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.32 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.32 |
| ▸ | CYP2B6 | P20813 | 3/20 | 0.32 |
| ▸ | CYP2C8 | P10632 | 2/20 | 0.32 |
| ▸ | AOC1 | P19801 | 1/20 | 0.32 |
| ▸ | GRM5 | P41594 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL6457920 | 0.71 | HRH1 (0.37) | CYP3A4CYP1A2PMP22CYP2D6CYP2A6 | |
| SCHEMBL3827052 | 0.71 | KCNN4 (0.33) | — | |
| SCHEMBL8547280 | 0.69 | KIF11 (0.39) | CYP3A4CYP2C9CYP2C19CYP2D6 | |
| SCHEMBL29089935 | 0.69 | KCNN4 (0.32) | — | |
| SCHEMBL8548025 | 0.68 | HRH1 (0.41) | — | |
| SCHEMBL5738210 | 0.67 | ADORA2A (0.32) | — | |
| SCHEMBL5240366 | 0.67 | KCNN4 (0.31) | — | |
| SCHEMBL1484198 | 0.67 | KCNN4 (0.31) | — | |
| SCHEMBL7802981 | 0.67 | TSHR (0.30) | — | |
| SCHEMBL6411394 | 0.67 | NOTUM (0.34) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0969840-A4 | THROMBIN INHIBITORS | MERCK & CO INC (US) | 2001-02-28 | — | — | EP | disclosed |
| EP-0969840-A1 | THROMBIN INHIBITORS | Merck & Co., Inc. (US) | 2000-01-12 | — | — | EP | disclosed |
| WO-1998042342-A1 | THROMBIN INHIBITORS | MERCK & CO., INC. (US) | 1998-10-01 | — | — | WO | disclosed |