Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1B1 | Q16678 | 4/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.42 |
| ▸ | HPGD | P15428 | 3/20 | 0.42 |
| ▸ | GAA | P10253 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | ACHE | P22303 | 3/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.38 |
| ▸ | PDE6D | O43924 | 1/20 | 0.38 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.38 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.38 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL7583648 | 1.00 | CYP1B1 (0.47) | CYP1B1CYP1A2CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL1581709 | 0.84 | CYP1B1 (0.59) | CYP1B1CYP1A2CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL5073231 | 0.82 | CYP1B1 (0.49) | CYP1B1CYP1A2CYP2C9CYP2C19ALDH1A1 | |
| Cyanide SCHEMBL27937317 | 0.79 | CYP1B1 (0.55) | CYP1B1CYP1A2CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL23439163 | 0.76 | CYP1B1 (0.52) | CYP1B1CYP1A2CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL383479 | 0.76 | CYP1B1 (0.52) | CYP1B1CYP1A2CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL383480 | 0.76 | CYP1B1 (0.52) | CYP1B1CYP1A2CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL5073226 | 0.76 | CYP1B1 (0.52) | CYP1B1CYP1A2CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL21598051 | 0.76 | CYP1A2 (0.54) | CYP1B1CYP1A2CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL17525790 | 0.76 | CYP1B1 (0.56) | CYP1B1CYP1A2CYP2C9CYP2C19ALDH1A1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0772590-B1 | THROMBIN INHIBITORS | MERCK & CO INC (US) | 2002-10-09 | — | — | EP | disclosed |
| US-6117880-A | TREATMENT OF DIABETES, RETINOPATHY, RESTINOSIS, ACROMEGALY, AND DEPRESSION | MERCK & CO., INC. (US) | 2000-09-12 | — | — | US | disclosed |
| US-6057338-A | USEFUL IN THE TREATMENT OF DIABETES, CANCER, ACROMEGALY, RESTENOSIS, DEPRESSION, IRRITABLE BOWEL SYNDROME, PAIN AND DIABETIC RETINOPATHY | MERCK & CO., INC. (US) | 2000-05-02 | — | — | US | disclosed |
| US-5714485-A | Piperidine and hexahydropyridazine thrombin inhibitors | MERCK & CO., INC. (US) | 1998-02-03 | — | — | US | disclosed |
| US-5510369-A | ANTICOAGULANTS | MERCK & CO., INC. (US) | 1996-04-23 | — | — | US | disclosed |