Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.51 |
| ▸ | RAB9A | P51151 | 2/20 | 0.51 |
| ▸ | CASP3 | P42574 | 12/20 | 0.51 |
| ▸ | CASP1 | P29466 | 1/20 | 0.51 |
| ▸ | CASP7 | P55210 | 1/20 | 0.51 |
| ▸ | CASP9 | P55211 | 1/20 | 0.51 |
| ▸ | CASP6 | P55212 | 1/20 | 0.51 |
| ▸ | CASP8 | Q14790 | 1/20 | 0.51 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | ELANE | P08246 | 1/20 | 0.42 |
| ▸ | RAF1 | P04049 | 1/20 | 0.41 |
| ▸ | BRAF | P15056 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL7744721 | 0.81 | CASP3 (0.67) | NPC1RAB9ACASP3CASP1CASP7 | |
| SCHEMBL7747532 | 0.75 | CASP3 (0.80) | CASP3CASP1CASP7CASP9CASP6 | |
| SCHEMBL18053461 | 0.74 | NPC1 (0.60) | NPC1RAB9ACASP3CASP1CASP7 | |
| SCHEMBL13534717 | 0.74 | TRPM8 (0.52) | RAB9AMEN1KMT2AELANE | |
| SCHEMBL3648807 | 0.73 | CASP1 (0.51) | CASP3CASP1 | |
| SCHEMBL2233522 | 0.73 | NPC1 (0.69) | NPC1RAB9ACASP3KMT2A | |
| SCHEMBL10874779 | 0.72 | NPC1 (0.68) | NPC1RAB9AMEN1KMT2A | |
| SCHEMBL2636252 | 0.71 | CTSL (0.56) | MEN1KMT2AELANE | |
| SCHEMBL19615642 | 0.71 | TRPM8 (0.49) | MEN1KMT2AELANE | |
| SCHEMBL19615638 | 0.71 | TRPM8 (0.49) | MEN1KMT2AELANE |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6620782-B1 | Substituted 2-aminobenzamide caspase inhibitors and the use thereof | CYTOVIA, INC. | 2003-09-16 | — | — | US | disclosed |