Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMO | O15229 | 1/20 | 0.58 |
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | CTSK | P43235 | 3/20 | 0.42 |
| ▸ | CTSS | P25774 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | AR | P10275 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | XDH | P47989 | 1/20 | 0.39 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.39 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.39 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.39 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.39 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.39 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.39 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.38 |
| ▸ | SQOR | Q9Y6N5 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL1509690 | 0.85 | KMO (0.58) | KMOCTSKCTSSCYP1A2CYP2C9 | |
| SCHEMBL22738478 | 0.74 | KMO (0.51) | KMONPC1CTSKCTSSCYP3A4 | |
| SCHEMBL9792898 | 0.74 | KMO (0.59) | KMOCTSKCTSSCYP1A2CYP3A4 | |
| SCHEMBL10919492 | 0.73 | ABL1 (0.48) | NPC1CYP1A2CYP3A4ARCYP2D6 | |
| SCHEMBL28844124 | 0.73 | KMO (0.57) | KMONPC1CTSKCTSSRAB9A | |
| SCHEMBL8501004 | 0.73 | NPC1 (0.70) | NPC1CYP1A2CYP3A4ARCYP2D6 | |
| SCHEMBL19065550 | 0.72 | KMO (0.49) | KMONPC1CTSKCTSSCYP1A2 | |
| SCHEMBL31754502 | 0.72 | KDM4E (0.55) | KMONPC1CYP1A2RAB9ASQOR | |
| SCHEMBL2077041 | 0.71 | LMNA (0.56) | NPC1CYP1A2CYP3A4ARCYP2D6 | |
| Ammonia Solution, Strong SCHEMBL27968646 | 0.71 | NPC1 (0.68) | NPC1CYP1A2CYP3A4ARCYP2D6 |
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-104755471-A | Pyridine derivative and drug | NIPPON SHINYAKU CO LTD | 2015-07-01 | — | — | CN | disclosed |