Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | CTSK | P43235 | 1/20 | 0.35 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.35 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.35 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.35 |
| ▸ | GPR139 | Q6DWJ6 | 2/20 | 0.34 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.33 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.33 |
| ▸ | CTSL | P07711 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL6988090 | 0.92 | TP53 (0.35) | SMN1; SMN2NPC1RAB9AOPRM1OPRD1 | |
| SCHEMBL6990359 | 0.91 | HPGD (0.38) | SMN1; SMN2NPC1RAB9ACTSLKMT2A | |
| SCHEMBL6987228 | 0.91 | CTSK (0.37) | RAB9ACTSKOPRD1OPRK1CTSL | |
| SCHEMBL6990344 | 0.91 | MEN1 (0.37) | NPC1RAB9AOPRM1OPRD1OPRK1 | |
| SCHEMBL6986649 | 0.91 | HTR1A (0.40) | SMN1; SMN2NPC1CTSKROCK2KMT2A | |
| SCHEMBL6991034 | 0.90 | TAS1R3 (0.34) | OPRM1OPRD1OPRK1CYP3A4CYP2C9 | |
| SCHEMBL6989479 | 0.88 | ATM (0.39) | SMN1; SMN2NPC1RAB9AKMT2A | |
| SCHEMBL6988282 | 0.88 | TRPV1 (0.41) | CTSKGPR139CTSL | |
| SCHEMBL6988331 | 0.86 | KDM1A (0.38) | — | |
| SCHEMBL6986990 | 0.86 | ROCK2 (0.36) | NPC1RAB9AROCK2ALDH1A1 |
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 |