Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.47 |
| ▸ | CYP26A1 | O43174 | 2/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | AR | P10275 | 1/20 | 0.43 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.43 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.43 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.43 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.43 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.42 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.42 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL8447183 | 0.78 | CYP2A6 (0.51) | LMNACYP3A4CYP2D6CYP2A6CYP19A1 | |
| SCHEMBL8444566 | 0.78 | CYP19A1 (0.44) | LMNACYP3A4CYP2D6CYP26A1CYP2A6 | |
| SCHEMBL8949396 | 0.76 | SMN1; SMN2 (0.49) | LMNAMEN1KMT2A | |
| SCHEMBL8443983 | 0.73 | GAA (0.54) | CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL10934923 | 0.72 | CYP19A1 (0.46) | CYP3A4CYP2D6CYP26A1CYP2A6CYP19A1 | |
| SCHEMBL5076692 | 0.71 | PKM (0.57) | LMNACYP3A4CYP19A1MEN1ADORA3 | |
| SCHEMBL9371746 | 0.71 | FFAR2 (0.45) | — | |
| SCHEMBL8445916 | 0.70 | QPCT (0.54) | LMNACYP3A4CYP2D6POLBCYP1A2 | |
| SCHEMBL11077677 | 0.69 | CYP11B1 (0.49) | CYP2A6CYP19A1CYP11B1CYP11B2CYP2B6 | |
| SCHEMBL9201200 | 0.69 | CYP11B1 (0.56) | CYP2A6CYP19A1CYP11B1CYP11B2CYP2B6 |
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-0901471-A4 | ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE | MERCK & CO INC (US) | 1999-08-25 | — | — | EP | disclosed |
| EP-0618907-B1 | 1-(ARYLALKYL-AMINOALKYL)IMIDAZOLE DERIVATIVES, PROCESSES OF PREPARATION AND USE AS THERAPEUTICAL AGENTS | BRITISH TECH GROUP INT (GB) | 1999-04-28 | — | — | EP | disclosed |
| EP-0901471-A1 | ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE | Merck & Co., Inc. (US) | 1999-03-17 | — | — | EP | disclosed |
| WO-1997044321-A1 | ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE | MERCK & CO., INC. (US) | 1997-11-27 | — | — | WO | disclosed |
| US-5547972-A | 1-(ARLALKYLAMINOALKYL) IMIDAZOLE DERIVATIVES | THE BOOTS COMPANY PLC (GB) | 1996-08-20 | — | — | US | disclosed |
| WO-1993013075-A1 | 1-(ARYLALKYL-AMINOALKYL)IMIDAZOLE DERIVATIVES, PROCESSES OF PREPARATION AND USE AS THERAPEUTICAL AGENTS | THE BOOTS COMPANY PLC (GB) | 1993-07-08 | — | — | WO | disclosed |