Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 6/20 | 0.52 |
| ▸ | HTR2C | P28335 | 6/20 | 0.52 |
| ▸ | HTR2B | P41595 | 4/20 | 0.52 |
| ▸ | KMO | O15229 | 9/20 | 0.43 |
| ▸ | HTR1A | P08908 | 2/20 | 0.40 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.40 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.40 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.40 |
| ▸ | HTR7 | P34969 | 2/20 | 0.40 |
| ▸ | HTR1D | P28221 | 1/20 | 0.40 |
| ▸ | HTR4 | Q13639 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.33 |
| ▸ | SYK | P43405 | 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 | |
|---|---|---|---|---|
| SCHEMBL8007092 | 0.83 | HTR2C (0.48) | HTR2AHTR2CHTR2BKMOHTR1A | |
| Ammonia Solution, Strong SCHEMBL905935 | 0.82 | HTR2A (0.44) | HTR2AHTR2CHTR2BKMOHTR1A | |
| SCHEMBL8007547 | 0.79 | HTR2A (0.55) | HTR2AHTR2CHTR2BKMOHTR1A | |
| SCHEMBL24908252 | 0.77 | NOTUM (0.43) | HTR2AHTR2CHTR2BKMOCYP1A2 | |
| SCHEMBL10199642 | 0.77 | HTR2A (0.68) | HTR2AHTR2CHTR2BKMOHTR1A | |
| SCHEMBL905933 | 0.77 | HTR2A (0.68) | HTR2AHTR2CHTR2BKMOHTR1A | |
| SCHEMBL3243999 | 0.74 | CYP1A2 (0.58) | HTR2AHTR2CHTR2BKMOADRA2A | |
| Fumaric Acid SCHEMBL8009277 | 0.72 | KMO (0.47) | HTR2AHTR2CHTR2BKMO | |
| SCHEMBL15713263 | 0.71 | HTR2A (0.47) | HTR2AHTR2CHTR2BKMOHTR1A | |
| SCHEMBL29306513 | 0.71 | KCNH2 (0.45) | HTR2AHTR2CHTR2BKMOHTR1A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2000017170-A2 | N1-SUBSTITUTED BENZOPYRAZOLES AS INHIBITORS OF 5-HT2 RECEPTORS | VERNALIS RESEARCH LIMITED (GB) | 2000-03-30 | — | — | WO | claimed |
| WO-2000017170-A2 | N1-SUBSTITUTED BENZOPYRAZOLES AS INHIBITORS OF 5-HT2 RECEPTORS | VERNALIS RESEARCH LIMITED (GB) | 2000-03-30 | — | — | WO | disclosed |