Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | TACR1 | P25103 | 14/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.39 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.38 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.38 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | TACR3 | P29371 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL6964502 | 0.81 | TACR1 (0.44) | LMNATACR1SLC6A4KCNH2TACR3 | |
| SCHEMBL6963883 | 0.78 | TACR1 (0.49) | TACR1KCNH2 | |
| SCHEMBL11030929 | 0.78 | SLC6A3 (0.53) | LMNASLC6A3AKR1C1SLC6A4 | |
| SCHEMBL18742583 | 0.74 | THRB (0.47) | LMNASLC6A3AKR1C1SLC6A4 | |
| SCHEMBL3318909 | 0.70 | AKR1C3 (0.46) | LMNATACR1AKR1C3AKR1C2AKR1C1 | |
| SCHEMBL4743517 | 0.70 | HTR2A (0.59) | TACR1 | |
| SCHEMBL5342038 | 0.70 | THRB (0.53) | LMNASLC6A3AKR1C3AKR1C2AKR1C1 | |
| Hydrochloric Acid SCHEMBL4023563 | 0.69 | AKR1C3 (0.44) | LMNATACR1AKR1C3AKR1C2AKR1C1 | |
| SCHEMBL18726385 | 0.68 | AKR1C1 (0.54) | TACR1AKR1C3AKR1C2AKR1C1SLC6A4 | |
| SCHEMBL18726384 | 0.68 | AKR1C1 (0.54) | TACR1AKR1C3AKR1C2AKR1C1SLC6A4 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1286978-A1 | CYCLOHEXYL DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS | MERCK SHARP & DOHME LTD. (GB) | 2003-03-05 | — | — | EP | disclosed |
| WO-2001087866-A1 | CYCLOHEXYL DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS | MERCK SHARP & DOHME LIMITED (GB) | 2001-11-22 | — | — | WO | disclosed |