Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 6/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 6/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.50 |
| ▸ | TSHR | P16473 | 5/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 4/20 | 0.50 |
| ▸ | CLK4 | Q9HAZ1 | 4/20 | 0.50 |
| ▸ | MEN1 | O00255 | 4/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.50 |
| ▸ | CYP1A1 | P04798 | 3/20 | 0.50 |
| ▸ | CYP1B1 | Q16678 | 3/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.50 |
| ▸ | USP2 | O75604 | 1/20 | 0.50 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.50 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.46 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.46 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | CYP4B1 | P13584 | 1/20 | 0.46 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL30777916 | 0.83 | CYP1A2 (0.48) | CYP1A2CYP3A4CYP2D6CYP2C19TSHR | |
| SCHEMBL513403 | 0.83 | KIT (0.45) | CYP1A2CYP3A4CYP2D6CYP2C19TSHR | |
| SCHEMBL8514899 | 0.83 | CYP1A2 (0.48) | CYP1A2CYP3A4CYP2D6CYP2C19TSHR | |
| SCHEMBL1850151 | 0.81 | HSP90AA1 (0.59) | CYP1A2CYP3A4CYP2D6CYP2C19TSHR | |
| SCHEMBL20210912 | 0.80 | SCN9A (0.48) | CYP2D6CYP2C19TSHRMAPK1USP2 | |
| SCHEMBL511711 | 0.77 | HTT (0.49) | CYP1A2CYP3A4CYP2D6CYP2C19MAPK1 | |
| SCHEMBL4438489 | 0.77 | CYP1A1 (0.52) | MAPK1KMT2ACYP1A1CYP1B1LMNA | |
| SCHEMBL15486382 | 0.74 | CDK9 (0.49) | CYP1A2CYP3A4CYP2D6CYP2C19TSHR | |
| SCHEMBL2993281 | 0.74 | HSP90AA1 (0.44) | CYP1A2CYP3A4CYP2D6CYP2C19TSHR | |
| SCHEMBL444455 | 0.74 | CYP1A1 (0.52) | CYP1A2CYP3A4CYP2D6CYP2C19TSHR |
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-2013175415-A1 | SUBSTITUTED PYRIMIDINE COMPOUNDS AND USES THEREOF | Piramal Enterprises Limited (IN) | 2013-11-28 | — | — | WO | disclosed |