Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 5/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | CA12 | O43570 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | CA9 | Q16790 | 2/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | CA5A | P35218 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.41 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.35 |
| ▸ | ACHE | P22303 | 4/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.35 |
| ▸ | MAP1LC3B | Q9GZQ8 | 1/20 | 0.34 |
| ▸ | MAP1LC3A | Q9H492 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL3166241 | 0.88 | ALDH1A1 (0.44) | CA2ALDH1A1CA12CYP3A4CA9 | |
| SCHEMBL29650356 | 0.88 | ALDH1A1 (0.44) | CA2ALDH1A1CA12CYP3A4CA9 | |
| SCHEMBL19692896 | 0.83 | ALDH1A1 (0.39) | CA2ALDH1A1CA12CYP3A4CA9 | |
| SCHEMBL9323120 | 0.83 | MAP1LC3B (0.46) | CA2ALDH1A1CA12CYP3A4CA9 | |
| SCHEMBL29650290 | 0.83 | ALDH1A1 (0.39) | CA2ALDH1A1CA12CYP3A4CA9 | |
| SCHEMBL9810685 | 0.81 | ESR1 (0.44) | ACHETSHROPRM1MAP1LC3BMAP1LC3A | |
| SCHEMBL8757169 | 0.80 | ESR1 (0.46) | CYP3A4TSHROPRM1MAP1LC3BMAP1LC3A | |
| SCHEMBL7735444 | 0.80 | ESR1 (0.46) | CYP3A4TSHROPRM1MAP1LC3BMAP1LC3A | |
| SCHEMBL21102407 | 0.80 | CYP19A1 (0.37) | CA2ALDH1A1CA12CYP3A4CA9 | |
| SCHEMBL19195086 | 0.80 | ESR1 (0.46) | CYP3A4TSHROPRM1MAP1LC3BMAP1LC3A |
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-1030853-A1 | NOVEL SIGNAL TRANSDUCTION INHIBITORS, COMPOSITIONS CONTAINING THEM | ARIAD PHARMACEUTICALS, INC. (US) | 2000-08-30 | — | — | EP | disclosed |
| WO-1999024442-A1 | NOVEL SIGNAL TRANSDUCTION INHIBITORS, COMPOSITIONS CONTAINING THEM | ARIAD PHARMACEUTICALS, INC. (US) | 1999-05-20 | — | — | WO | disclosed |