Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CASP1 | P29466 | 1/20 | 0.45 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.44 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.44 |
| ▸ | CTRB1 | P17538 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 3/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | GPR55 | Q9Y2T6 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | SYK | P43405 | 1/20 | 0.41 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.41 |
| ▸ | NFE2L2 | Q16236 | 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 | |
|---|---|---|---|---|
| SCHEMBL19145112 | 0.91 | MEN1 (0.42) | ALDH1A1TP53CYP3A4CASP1MEN1 | |
| SCHEMBL10058359 | 0.89 | FKBP1A (0.52) | ALDH1A1CASP1ITGB3ITGA2BCTRB1 | |
| SCHEMBL25087898 | 0.89 | FKBP1A (0.52) | ALDH1A1CASP1ITGB3ITGA2BCTRB1 | |
| SCHEMBL19145283 | 0.86 | ALDH1A1 (0.44) | ALDH1A1ITGB3ITGA2BHPGDHSD17B10 | |
| SCHEMBL19145558 | 0.85 | MEN1 (0.44) | ALDH1A1CYP3A4CASP1CTRB1MEN1 | |
| SCHEMBL19145111 | 0.85 | MEN1 (0.44) | ALDH1A1CYP3A4CASP1CTRB1MEN1 | |
| SCHEMBL19145250 | 0.84 | MEN1 (0.43) | ALDH1A1CASP1CTRB1MEN1KMT2A | |
| SCHEMBL19145314 | 0.84 | MEN1 (0.43) | ALDH1A1CASP1CTRB1MEN1KMT2A | |
| SCHEMBL19145231 | 0.83 | MEN1 (0.42) | ALDH1A1CASP1ITGB3ITGA2BCTRB1 | |
| SCHEMBL19145431 | 0.83 | MEN1 (0.42) | ALDH1A1CASP1ITGB3ITGA2BCTRB1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017123616-A1 | INHIBITING B-CELL LYMPHOMA 2 (BCL-2) AND RELATED PROTEINS | MERRIMACK PHARMACEUTICALS, INC. (US) | 2017-07-20 | — | — | WO | disclosed |