Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.52 |
| ▸ | ACKR3 | P25106 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 5/20 | 0.41 |
| ▸ | GAA | P10253 | 3/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 4/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 3/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.38 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.37 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL3758177 | 0.86 | CYP1A2 (0.47) | CYP1A2CYP3A4CYP2C9CYP2C19ACKR3 | |
| SCHEMBL31583756 | 0.86 | MAPT (0.40) | CYP1A2CYP3A4CYP2C9CYP2C19MAPT | |
| SCHEMBL13054790 | 0.84 | ACKR3 (0.39) | CYP1A2CYP3A4CYP2C9CYP2C19ACKR3 | |
| SCHEMBL2729239 | 0.84 | ACKR3 (0.43) | CYP1A2CYP3A4CYP2C9CYP2C19ACKR3 | |
| SCHEMBL7829415 | 0.81 | CYP1A2 (0.48) | CYP1A2CYP3A4CYP2C9CYP2C19MAPT | |
| SCHEMBL7322694 | 0.78 | MAPKAPK2 (0.48) | MAPTGAAMAPK1RAB9ASMN1; SMN2 | |
| SCHEMBL23205933 | 0.77 | CYP1A2 (0.43) | CYP1A2CYP3A4CYP2C9CYP2C19MAPT | |
| SCHEMBL7844204 | 0.76 | CYP1A2 (0.44) | CYP1A2CYP3A4CYP2C9CYP2C19ACKR3 | |
| SCHEMBL30767560 | 0.76 | CYP1A2 (0.60) | CYP1A2CYP3A4CYP2C9CYP2C19POLB | |
| SCHEMBL14320344 | 0.75 | TDO2 (0.49) | CYP1A2CYP2C9MAPTGAAMAPK1 |
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-2012059932-A1 | 2, 4 -DIAMINOPYRIMIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS | AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) | 2012-05-10 | — | — | WO | disclosed |