Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR2 | P34972 | 8/20 | 0.73 |
| ▸ | CNR1 | P21554 | 14/20 | 0.67 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.67 |
| ▸ | GPR55 | Q9Y2T6 | 3/20 | 0.67 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.67 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.67 |
| ▸ | MAPT | P10636 | 2/20 | 0.67 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.67 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.67 |
| ▸ | MEN1 | O00255 | 1/20 | 0.67 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.67 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.67 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.67 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.59 |
| ▸ | MLNR | O43193 | 1/20 | 0.59 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.59 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.59 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.59 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.59 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.59 |
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 | |
|---|---|---|---|---|
| SCHEMBL18255404 | 0.90 | CNR1 (0.72) | CNR2CNR1CYP2C9GPR55CYP1A2 | |
| SCHEMBL18255406 | 0.90 | CNR1 (0.60) | CNR2CNR1CYP2C9GPR55CYP1A2 | |
| SCHEMBL18255373 | 0.81 | CNR1 (0.65) | CNR2CNR1 | |
| SCHEMBL29835959 | 0.80 | CNR1 (1.00) | CNR2CNR1CYP2C9GPR55CYP1A2 | |
| SCHEMBL1517458 | 0.80 | CNR1 (1.00) | CNR2CNR1CYP2C9GPR55CYP1A2 | |
| SCHEMBL3815250 | 0.80 | CNR2 (0.91) | CNR2CNR1CYP2C9GPR55CYP1A2 | |
| SCHEMBL18255367 | 0.80 | CNR2 (0.70) | CNR2CNR1KCNH2 | |
| SCHEMBL18255407 | 0.80 | CNR2 (0.61) | CNR2CNR1 | |
| SCHEMBL18255458 | 0.79 | CNR1 (0.60) | CNR2CNR1 | |
| SCHEMBL18255445 | 0.79 | CNR2 (0.62) | CNR2CNR1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2016184310-A1 | 4-METHYL-1H-DIARYL PYRAZOLE DERIVATIVES AND USES AS DRUGS THEREOF | 中国人民解放军军事医学科学院毒物药物研究所 | 2016-11-24 | — | — | WO | disclosed |