Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | GLA | P06280 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.31 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.31 |
| ▸ | PNMT | P11086 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL28814492 | 0.87 | TAAR1 (0.36) | TAAR1GAAP2RX7 | |
| SCHEMBL19112283 | 0.83 | TAAR1 (0.38) | TAAR1GAACYP2A13 | |
| SCHEMBL752405 | 0.83 | TAAR1 (0.36) | TAAR1CYP3A4GAACYP2A13P2RX7 | |
| SCHEMBL10830911 | 0.82 | TAAR1 (0.34) | TAAR1CYP3A4PNMT | |
| SCHEMBL1365870 | 0.76 | AR (0.36) | — | |
| SCHEMBL12138789 | 0.76 | TAAR1 (0.30) | TAAR1 | |
| SCHEMBL6072587 | 0.74 | TAAR1 (0.41) | TAAR1CYP1A2CYP3A4CYP2C19GAA | |
| SCHEMBL1765394 | 0.74 | TAAR1 (0.45) | TAAR1CYP3A4GAACYP2A13PNMT | |
| SCHEMBL4120436 | 0.74 | TAAR1 (0.36) | TAAR1CYP3A4GAACYP2A13P2RX7 | |
| SCHEMBL6072548 | 0.74 | TAAR1 (0.36) | TAAR1CYP3A4GAACYP2A13P2RX7 |
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 |
|---|---|---|---|---|---|---|---|
| CN-104968654-A | Substituted 2-aminopyridine protein kinase inhibitor | CHIA TAI TIANQING PHARMACEUTICAL GROUP CO LTD | 2015-10-07 | — | — | CN | disclosed |