Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 10/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.50 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.46 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 8/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 7/20 | 0.45 |
| ▸ | CLK4 | Q9HAZ1 | 7/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.43 |
| ▸ | USP2 | O75604 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | TSHR | P16473 | 3/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.42 |
| ▸ | PPP1CA | P62136 | 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 | |
|---|---|---|---|---|
| SCHEMBL4790942 | 0.83 | CYP3A4 (0.48) | CYP3A4CYP2C9SLC2A1CYP2A6CYP1A2 | |
| SCHEMBL2239929 | 0.83 | CYP3A4 (0.65) | CYP3A4CYP2C9SLC2A1CYP2A6CYP1A2 | |
| SCHEMBL4771527 | 0.83 | CYP3A4 (0.55) | CYP3A4CYP2C9SLC2A1CYP2A6CYP1A2 | |
| SCHEMBL4775842 | 0.83 | CYP3A4 (0.60) | CYP3A4CYP2C9SLC2A1CYP2A6CYP1A2 | |
| SCHEMBL4775067 | 0.82 | CYP3A4 (0.57) | CYP3A4CYP2C9SLC2A1CYP2A6CYP1A2 | |
| SCHEMBL4771758 | 0.82 | ADORA1 (0.43) | CYP2A6SMN1; SMN2TSHRNPC1TP53 | |
| SCHEMBL2238378 | 0.81 | CYP3A4 (0.46) | CYP3A4CYP2C9CYP2A6CYP1A2CYP2D6 | |
| SCHEMBL2241706 | 0.81 | CYP3A4 (0.46) | CYP3A4CYP2C9SLC2A1CYP2A6CYP1A2 | |
| SCHEMBL2240050 | 0.80 | CYP3A4 (0.46) | CYP3A4CYP2C9SLC2A1CYP2A6CYP1A2 | |
| SCHEMBL2240341 | 0.80 | CDK4 (0.50) | CYP3A4CYP2C9SLC2A1CYP2A6CYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1878733-A1 | Pyrimidine derivatives as ALK-5 inhibitors | Novartis AG (CH) | 2008-01-16 | — | — | EP | disclosed |