Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 3/20 | 0.35 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.35 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 2/20 | 0.33 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.33 |
| ▸ | GAA | P10253 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | GFER | P55789 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 3/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | PLD1 | Q13393 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL6987871 | 0.92 | CTSK (0.39) | KMT2ANPC1RAB9AALDH1A1SMN1; SMN2 | |
| SCHEMBL6989542 | 0.90 | TP53 (0.40) | ALDH1A1MAPTLMNACTSK | |
| SCHEMBL6988090 | 0.89 | TP53 (0.35) | KMT2AOPRM1OPRD1NPC1RAB9A | |
| SCHEMBL6990082 | 0.89 | MAPT (0.41) | KMT2ANPC1ALDH1A1SMN1; SMN2L3MBTL1 | |
| SCHEMBL6990056 | 0.89 | OPRM1 (0.37) | OPRM1OPRD1ALDH1A1LMNACYP3A4 | |
| SCHEMBL6988433 | 0.88 | TAS1R3 (0.35) | PLD1CTSK | |
| SCHEMBL6988694 | 0.87 | ATM (0.39) | KMT2ANPC1RAB9AALDH1A1SMN1; SMN2 | |
| SCHEMBL6981853 | 0.86 | TRPV1 (0.42) | — | |
| SCHEMBL6988884 | 0.85 | CTSS (0.36) | OPRM1OPRD1ALDH1A1SMN1; SMN2KDM4E | |
| SCHEMBL6985501 | 0.84 | GCGR (0.41) | — |
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 |