Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPV1 | Q8NER1 | 16/20 | 0.42 |
| ▸ | ADCY6 | O43306 | 1/20 | 0.38 |
| ▸ | ADCY3 | O60266 | 1/20 | 0.38 |
| ▸ | ADCY9 | O60503 | 1/20 | 0.38 |
| ▸ | ADCY5 | O95622 | 1/20 | 0.38 |
| ▸ | ADCY8 | P40145 | 1/20 | 0.38 |
| ▸ | GCGR | P47871 | 1/20 | 0.38 |
| ▸ | ADCY7 | P51828 | 1/20 | 0.38 |
| ▸ | ADCY2 | Q08462 | 1/20 | 0.38 |
| ▸ | ADCY1 | Q08828 | 1/20 | 0.38 |
| ▸ | ADCY4 | Q8NFM4 | 1/20 | 0.38 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.37 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.37 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.35 |
| ▸ | PPARG | P37231 | 1/20 | 0.35 |
| ▸ | PPARA | Q07869 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL6988282 | 0.90 | TRPV1 (0.41) | TRPV1 | |
| SCHEMBL6990056 | 0.90 | OPRM1 (0.37) | — | |
| SCHEMBL6988694 | 0.89 | ATM (0.39) | EPHX2 | |
| SCHEMBL6989542 | 0.87 | TP53 (0.40) | ADCY6ADCY3ADCY9ADCY5ADCY8 | |
| SCHEMBL6987871 | 0.87 | CTSK (0.39) | GCGREPHX2 | |
| SCHEMBL6988403 | 0.86 | KMT2A (0.35) | — | |
| SCHEMBL6990082 | 0.84 | MAPT (0.41) | HDAC3HDAC1HDAC2 | |
| SCHEMBL6988433 | 0.84 | TAS1R3 (0.35) | — | |
| SCHEMBL6749598 | 0.82 | USP30 (0.44) | TRPV1EPHX2NR1H4PPARGPPARA | |
| SCHEMBL6998484 | 0.81 | TRPV1 (0.39) | TRPV1ADCY6ADCY3ADCY9ADCY5 |
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-1362042-A1 | CYCLIC 2-CARBONYLAMINOKETONES AS INHIBITORS OF CRUZIPAIN AND OTHER CYSTEINE PROTEASES | Amura Therapeutics Limited (GB) | 2003-11-19 | — | — | EP | disclosed |
| WO-2002057249-A1 | CYCLIC 2-CARBONYLAMINOKETONES AS INHIBITORS OF CRUZIPAIN AND OTHER CYSTEINE PROTEASES | AMURA THERAPEUTICS LIMITED (GB) | 2002-07-25 | — | — | WO | disclosed |