Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 3/20 | 0.44 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.44 |
| ▸ | KDM6B | O15054 | 2/20 | 0.43 |
| ▸ | KDM2B | Q8NHM5 | 2/20 | 0.43 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.43 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.43 |
| ▸ | MAOB | P27338 | 1/20 | 0.43 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.43 |
| ▸ | AHR | P35869 | 1/20 | 0.43 |
| ▸ | AVPR1A | P37288 | 1/20 | 0.43 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.43 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.43 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.43 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.43 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.43 |
| ▸ | PHF8 | Q9UPP1 | 1/20 | 0.43 |
| ▸ | SLCO1B1 | Q9Y6L6 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL25458494 | 1.00 | HDAC1 (0.44) | HDAC1HDAC6KDM6BKDM2BNR1I2 | |
| SCHEMBL28894645 | 0.89 | CYP3A4 (0.42) | HDAC1HDAC6KDM6BKDM2BNR1I2 | |
| SCHEMBL28894650 | 0.89 | CYP3A4 (0.42) | HDAC1HDAC6KDM6BKDM2BNR1I2 | |
| SCHEMBL30085550 | 0.89 | CYP3A4 (0.42) | HDAC1HDAC6KDM6BKDM2BNR1I2 | |
| SCHEMBL28895045 | 0.82 | ROS1 (0.44) | CYP3A4CYP2D6CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL28895049 | 0.82 | ROS1 (0.44) | CYP3A4CYP2D6CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL30085410 | 0.82 | ROS1 (0.44) | CYP3A4CYP2D6CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL28894555 | 0.80 | CYP3A4 (0.48) | CYP3A4CYP2D6CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL25458487 | 0.80 | CYP3A4 (0.48) | CYP3A4CYP2D6CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL30085664 | 0.80 | CYP3A4 (0.48) | CYP3A4CYP2D6CYP2C9CYP2C19CYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-115397818-A | Aminopyrimidine derivatives and their use as modulators of arene receptors | 东亚ST株式会社 | 2022-11-25 | — | — | CN | claimed |
| CN-115397818-A | Aminopyrimidine derivatives and their use as modulators of arene receptors | 东亚ST株式会社 | 2022-11-25 | — | — | CN | disclosed |