Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.44 |
| ▸ | PNMT | P11086 | 11/20 | 0.39 |
| ▸ | ASIC3 | Q9UHC3 | 1/20 | 0.39 |
| ▸ | CMA1 | P23946 | 1/20 | 0.38 |
| ▸ | AHR | P35869 | 1/20 | 0.38 |
| ▸ | ADRA2A | P08913 | 4/20 | 0.36 |
| ▸ | ADRA2B | P18089 | 3/20 | 0.36 |
| ▸ | ADRA2C | P18825 | 3/20 | 0.36 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.34 |
| ▸ | ROS1 | P08922 | 1/20 | 0.34 |
| ▸ | MARK3 | P27448 | 1/20 | 0.34 |
| ▸ | LTK | P29376 | 1/20 | 0.34 |
| ▸ | FLT4 | P35916 | 1/20 | 0.34 |
| ▸ | KDR | P35968 | 1/20 | 0.34 |
| ▸ | MINK1 | Q8N4C8 | 1/20 | 0.34 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.34 |
| ▸ | PBK | Q96KB5 | 1/20 | 0.34 |
| ▸ | STK17A | Q9UEE5 | 1/20 | 0.34 |
| ▸ | MAP4K5 | Q9Y4K4 | 1/20 | 0.34 |
| ▸ | TDP2 | O95551 | 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 | |
|---|---|---|---|---|
| SCHEMBL29696017 | 0.71 | PARP1 (0.42) | TRPA1PNMTPARP1 | |
| SCHEMBL25184056 | 0.70 | ALDH1A1 (0.34) | PNMTADRA2AADRA2BADRA2C | |
| SCHEMBL2965836 | 0.69 | TRPA1 (0.47) | TRPA1PNMTASIC3CMA1AHR | |
| SCHEMBL6161601 | 0.67 | TRPA1 (0.45) | TRPA1PNMTASIC3CMA1AHR | |
| SCHEMBL30782257 | 0.67 | TRPA1 (0.45) | TRPA1PNMTASIC3CMA1AHR | |
| SCHEMBL16294615 | 0.67 | PARP1 (0.52) | TRPA1PNMTASIC3CMA1AHR | |
| Hydrochloric Acid SCHEMBL6962514 | 0.65 | TRPA1 (0.44) | TRPA1PNMTASIC3CMA1AHR | |
| SCHEMBL25420773 | 0.64 | PNMT (0.38) | TRPA1PNMTASIC3CMA1AHR | |
| SCHEMBL12280461 | 0.63 | TRPA1 (0.41) | TRPA1PNMTCMA1AHRADRA2A | |
| Formic Acid SCHEMBL28778115 | 0.63 | PARP1 (0.35) | TRPA1PARP1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2131656-A2 | PHTHALAZINE DERIVATIVES | Forest Laboratories Holdings Limited (BM) | 2009-12-16 | — | — | EP | disclosed |
| WO-2008061108-A2 | PHTHALAZINE DERIVATIVES | FOREST LABORATORIES HOLDINGS LIMITED (BM) | 2008-05-22 | — | — | WO | disclosed |