Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.35 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | CYP24A1 | Q07973 | 1/20 | 0.33 |
| ▸ | HPGDS | O60760 | 1/20 | 0.32 |
| ▸ | PTGFR | P43088 | 7/20 | 0.32 |
| ▸ | POLB | P06746 | 2/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL6990359 | 0.92 | HPGD (0.38) | NPC1RAB9AKMT2AALDH1A1LMNA | |
| SCHEMBL6985507 | 0.92 | SMN1; SMN2 (0.37) | TP53NPC1RAB9AOPRM1OPRD1 | |
| SCHEMBL6987228 | 0.91 | CTSK (0.37) | TP53RAB9AOPRD1LMNAMAPT | |
| SCHEMBL6990344 | 0.90 | MEN1 (0.37) | NPC1RAB9AOPRM1OPRD1KMT2A | |
| SCHEMBL6986649 | 0.90 | HTR1A (0.40) | TP53NPC1MAPK1KMT2AALDH1A1 | |
| SCHEMBL6988403 | 0.89 | KMT2A (0.35) | NPC1RAB9AOPRM1OPRD1KMT2A | |
| SCHEMBL6991034 | 0.89 | TAS1R3 (0.34) | OPRM1OPRD1CYP3A4HPGDSPLD1 | |
| SCHEMBL6989479 | 0.88 | ATM (0.39) | NPC1MAPK1RAB9AKMT2ALMNA | |
| SCHEMBL6988282 | 0.87 | TRPV1 (0.41) | — | |
| SCHEMBL6988331 | 0.86 | KDM1A (0.38) | — |
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 |