Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 4/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA4 | P22748 | 1/20 | 0.42 |
| ▸ | CA7 | P43166 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | KMO | O15229 | 4/20 | 0.41 |
| ▸ | GPR119 | Q8TDV5 | 4/20 | 0.40 |
| ▸ | HTR2A | P28223 | 4/20 | 0.39 |
| ▸ | HTR2C | P28335 | 4/20 | 0.39 |
| ▸ | HTR2B | P41595 | 3/20 | 0.39 |
| ▸ | HTR1A | P08908 | 2/20 | 0.39 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.39 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.39 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.39 |
| ▸ | HTR1D | P28221 | 1/20 | 0.39 |
| ▸ | HTR7 | P34969 | 1/20 | 0.39 |
| ▸ | HTR4 | Q13639 | 1/20 | 0.39 |
| ▸ | EEF2K | O00418 | 1/20 | 0.36 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.36 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL7997838 | 0.84 | KMO (0.43) | KMOHTR2AHTR2CHTR2BHTR1A | |
| SCHEMBL8007487 | 0.84 | KMO (0.43) | KMOHTR2AHTR2CHTR2BHTR1A | |
| Fumaric Acid SCHEMBL8007684 | 0.72 | HTR2A (0.56) | KMOHTR2AHTR2CHTR2BHTR1A | |
| Fumaric Acid SCHEMBL8009714 | 0.72 | HTR2A (0.56) | KMOHTR2AHTR2CHTR2BHTR1A | |
| Fumaric Acid SCHEMBL8009708 | 0.72 | HTR2A (0.56) | KMOHTR2AHTR2CHTR2BHTR1A | |
| SCHEMBL8007690 | 0.70 | HTR2A (0.40) | KMOGPR119HTR2AHTR2CHTR2B | |
| SCHEMBL5636655 | 0.69 | HTR2A (0.64) | KMOHTR2AHTR2CHTR2BHTR1A | |
| SCHEMBL4946400 | 0.69 | HTR2A (0.64) | KMOHTR2AHTR2CHTR2BHTR1A | |
| SCHEMBL26988130 | 0.68 | ITGA4 (0.36) | CA2CA1CA4CA7CA9 | |
| SCHEMBL26989485 | 0.68 | ITGA4 (0.36) | CA2CA1CA4CA7CA9 |
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-2000017170-A2 | N1-SUBSTITUTED BENZOPYRAZOLES AS INHIBITORS OF 5-HT2 RECEPTORS | VERNALIS RESEARCH LIMITED (GB) | 2000-03-30 | — | — | WO | disclosed |