Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 5/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
| ▸ | MAP3K14 | Q99558 | 1/20 | 0.37 |
| ▸ | TYMS | P04818 | 2/20 | 0.37 |
| ▸ | CCNC | P24863 | 1/20 | 0.37 |
| ▸ | CDK8 | P49336 | 1/20 | 0.37 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.36 |
| ▸ | CDK2 | P24941 | 2/20 | 0.36 |
| ▸ | CDC7 | O00311 | 1/20 | 0.36 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.36 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | BACE1 | P56817 | 1/20 | 0.35 |
| ▸ | PARP1 | P09874 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL12053800 | 0.79 | TRPA1 (0.41) | TRPA1MAPTCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL17844959 | 0.79 | TRPA1 (0.41) | TRPA1MAPTCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL1315422 | 0.79 | MAPT (0.47) | TRPA1MAPTCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL28516934 | 0.79 | TRPA1 (0.41) | TRPA1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL17861316 | 0.79 | CYP2A6 (0.53) | TRPA1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL27978813 | 0.79 | PLAU (0.51) | MAPTCYP1A2CYP2C19CYP2A6MAP3K14 | |
| SCHEMBL26954239 | 0.79 | CYP2A6 (0.44) | MAPTCYP1A2CYP2A6TYMSTDP1 | |
| SCHEMBL30377849 | 0.75 | CYP1A2 (0.52) | CYP1A2CYP2A6TYMSCYP19A1CTDSP1 | |
| SCHEMBL8272301 | 0.75 | TRPA1 (0.57) | TRPA1MAPTCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL28396185 | 0.75 | TRPA1 (0.38) | TRPA1CYP1A2CYP3A4CYP2D6CYP2C9 |
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-112358447-B | Synthesis method of 7-fluoroisoquinoline-1-carboxylic acid | 苏州康润医药有限公司 | 2022-04-12 | — | — | CN | disclosed |
| CN-112358447-A | Synthesis method of 7-fluoroisoquinoline-1-carboxylic acid | 苏州康润医药有限公司 | 2021-02-12 | — | — | CN | disclosed |
| CN-101228149-B | Piperidinyl-substituted isoquinolinone derivatives as Rho-kinase inhibitors | SANOFI AVENTIS | 2013-01-02 | — | — | CN | disclosed |