Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPBAR1 | Q8TDU6 | 15/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | GRM5 | P41594 | 1/20 | 0.48 |
| ▸ | NPC1 | O15118 | 2/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | PNLIP | P16233 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL27902547 | 0.87 | GPBAR1 (0.57) | GPBAR1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL27902548 | 0.81 | GPBAR1 (0.58) | GPBAR1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL27885552 | 0.80 | GPBAR1 (0.58) | GPBAR1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL2216478 | 0.78 | GPBAR1 (0.69) | GPBAR1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL30897144 | 0.73 | ROCK2 (0.67) | NPC1RAB9ASMN1; SMN2MAPT | |
| SCHEMBL2215954 | 0.73 | GPBAR1 (0.61) | GPBAR1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL2217638 | 0.70 | KMT2A (0.51) | GPBAR1 | |
| SCHEMBL18517808 | 0.70 | NPC1 (0.68) | NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL18160389 | 0.69 | NPC1 (0.54) | NPC1RAB9ASMN1; SMN2MAPT | |
| SCHEMBL10968923 | 0.69 | KMT2A (0.60) | CYP1A2CYP2C19GRM5NPC1 |
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-102850321-A | Aroxylpyrimidine formamide or aroxylpyridine formamide compound and its preparation method, pharmaceutical composition, and application | SHANGHAI INST MATERIA MEDICA | 2013-01-02 | — | — | CN | disclosed |