Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 10/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 10/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 10/20 | 0.50 |
| ▸ | CLK4 | Q9HAZ1 | 10/20 | 0.50 |
| ▸ | TSHR | P16473 | 8/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 8/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 7/20 | 0.50 |
| ▸ | USP2 | O75604 | 4/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.50 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.50 |
| ▸ | LMNA | P02545 | 6/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.47 |
| ▸ | CCNT1 | O60563 | 2/20 | 0.45 |
| ▸ | CDK9 | P50750 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | TP53 | P04637 | 4/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.44 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL15533972 | 0.84 | ABL1 (0.53) | CCNT1CDK9TP53ADORA3MAPT | |
| SCHEMBL15533969 | 0.82 | CYP1A1 (0.48) | CYP2D6CYP2C19CYP1A2CLK4TSHR | |
| SCHEMBL15534016 | 0.82 | SYK (0.53) | CLK4CCNT1CDK9MAP4K4CDK1 | |
| SCHEMBL15533691 | 0.81 | MAPT (0.47) | CYP2D6CYP2C19CYP1A2CLK4TSHR | |
| SCHEMBL15534449 | 0.77 | TRPV1 (0.47) | CYP2D6CYP2C19CYP1A2TSHRCYP3A4 | |
| SCHEMBL15533592 | 0.77 | KMO (0.42) | CYP2D6CYP2C19CYP1A2CLK4TSHR | |
| SCHEMBL15534734 | 0.75 | ABL1 (0.43) | MAPK1MAPTSYK | |
| SCHEMBL15533871 | 0.74 | TP53 (0.51) | CYP2D6CYP2C19CYP1A2CLK4TSHR | |
| SCHEMBL15533177 | 0.74 | CYP1A2 (0.49) | CYP2D6CYP2C19CYP1A2CLK4TSHR | |
| SCHEMBL4108457 | 0.73 | CYP1A2 (0.58) | CYP2D6CYP2C19CYP1A2CLK4TSHR |
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 |
|---|---|---|---|---|---|---|---|
| WO-2013175415-A1 | SUBSTITUTED PYRIMIDINE COMPOUNDS AND USES THEREOF | Piramal Enterprises Limited (IN) | 2013-11-28 | — | — | WO | claimed |
| WO-2013175415-A1 | SUBSTITUTED PYRIMIDINE COMPOUNDS AND USES THEREOF | Piramal Enterprises Limited (IN) | 2013-11-28 | — | — | WO | disclosed |