Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | RECQL | P46063 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.39 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.37 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | LOX | P28300 | 1/20 | 0.34 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.34 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.34 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.34 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.34 |
| ▸ | PI4KA | P42356 | 1/20 | 0.34 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.34 |
| ▸ | PI4KB | Q9UBF8 | 1/20 | 0.34 |
| ▸ | SORD | Q00796 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.32 |
| ▸ | GCK | P35557 | 1/20 | 0.32 |
| ▸ | IDO1 | P14902 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL27890075 | 0.88 | LOX (0.39) | CYP2D6HSP90AA1P2RX7LOXAOC3 | |
| SCHEMBL22110815 | 0.83 | HSP90AA1 (0.37) | CYP2D6HSP90AA1P2RX7RXRAGRIN1 | |
| SCHEMBL8566274 | 0.79 | HSP90AA1 (0.37) | CYP2D6HSP90AA1P2RX7RXRAGRIN1 | |
| SCHEMBL19732852 | 0.79 | HSP90AA1 (0.41) | CYP2D6HSP90AA1P2RX7 | |
| SCHEMBL27906749 | 0.78 | IRAK4 (0.32) | CYP2D6HSP90AA1P2RX7THRBRXRA | |
| SCHEMBL6638944 | 0.78 | CYP2D6 (0.57) | ALDH1A1CYP2D6CYP3A4 | |
| SCHEMBL27890125 | 0.76 | CYP19A1 (0.36) | ALDH1A1CYP2D6HSP90AA1P2RX7IDO1 | |
| SCHEMBL27890078 | 0.76 | P2RX7 (0.35) | ALDH1A1CYP2D6HSP90AA1P2RX7IDO1 | |
| SCHEMBL28803714 | 0.74 | CYP2D6 (0.36) | CYP2D6HSP90AA1P2RX7CYP3A4RXRA | |
| SCHEMBL5883850 | 0.74 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102924446-A | PIM kinase inhibitor, preparation method thereof, and application thereof in pharmacy | SHANGHAI JIKAI MEDICAL TECHNOLOGY CO LTD | 2013-02-13 | — | — | CN | claimed |
| EP-2804854-B1 | SUBSTITUTED TRIAZOLES AND THEIR USE FOR TREATMENT AND/OR PREVENTION OF NEUROLOGICAL AND PSYCHIATRIC DISORDERS | BOEHRINGER INGELHEIM INT (DE) | 2016-03-16 | — | — | EP | disclosed |
| CN-102924446-A | PIM kinase inhibitor, preparation method thereof, and application thereof in pharmacy | SHANGHAI JIKAI MEDICAL TECHNOLOGY CO LTD | 2013-02-13 | — | — | CN | disclosed |