Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 1/20 | 0.53 |
| ▸ | NCF1 | P14598 | 1/20 | 0.53 |
| ▸ | PLD1 | Q13393 | 1/20 | 0.53 |
| ▸ | CHKA | P35790 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CHRNB2 | P17787 | 3/20 | 0.39 |
| ▸ | CHRNA4 | P43681 | 3/20 | 0.39 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.35 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | EED | O75530 | 1/20 | 0.34 |
| ▸ | BCHE | P06276 | 1/20 | 0.33 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.33 |
| ▸ | CHRNG | P07510 | 1/20 | 0.33 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL11401370 | 0.84 | ALOX5 (0.38) | CHRNB2CHRNA4 | |
| SCHEMBL2045230 | 0.78 | ALOX5 (0.50) | CYP3A4TSHRCYP2C19ALDH1A1CYP2D6 | |
| SCHEMBL28103265 | 0.77 | CHRNB2 (0.61) | CHRNB2CHRNA4CHRNA1CHRNGCHRNB1 | |
| SCHEMBL28030097 | 0.75 | ADRB1 (0.53) | ALDH1A1 | |
| SCHEMBL28030091 | 0.75 | HTR3A (0.53) | ALDH1A1CYP2D6 | |
| SCHEMBL24527382 | 0.75 | KDM4E (0.40) | TSHRALDH1A1 | |
| SCHEMBL28236696 | 0.75 | CHRNB2 (0.38) | CHRNB2CHRNA4 | |
| SCHEMBL4722355 | 0.75 | ALOX5 (0.32) | — | |
| SCHEMBL24527374 | 0.75 | ADRB1 (0.41) | TSHRALDH1A1 | |
| SCHEMBL11884832 | 0.72 | ALOX5 (0.48) | CYP3A4TSHRCYP2C19ALDH1A1CYP2D6 |
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-106061950-B | The manufacturing method of pyrazole compound | 住友化学株式会社 | 2019-05-03 | — | — | CN | disclosed |