Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMO | O15229 | 2/20 | 0.46 |
| ▸ | HTR2A | P28223 | 9/20 | 0.38 |
| ▸ | HTR2C | P28335 | 8/20 | 0.38 |
| ▸ | HTR2B | P41595 | 5/20 | 0.38 |
| ▸ | HTR1A | P08908 | 2/20 | 0.38 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.38 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.38 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.38 |
| ▸ | HTR1D | P28221 | 1/20 | 0.38 |
| ▸ | HTR7 | P34969 | 1/20 | 0.38 |
| ▸ | HTR4 | Q13639 | 1/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.32 |
| ▸ | PIM1 | P11309 | 2/20 | 0.31 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.31 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.31 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL6741169 | 0.82 | KMO (0.41) | KMOHTR2AHTR2CHTR2BHTR1A | |
| SCHEMBL7006841 | 0.79 | HTR2C (0.59) | KMOHTR2AHTR2CHTR2BADRA2A | |
| SCHEMBL8009913 | 0.76 | HTR2A (0.35) | KMOHTR2AHTR2CHTR2BHTR1A | |
| SCHEMBL2144057 | 0.73 | NOTUM (0.44) | KMOHTR2AHTR2CHTR2B | |
| SCHEMBL31172027 | 0.73 | NOTUM (0.44) | KMOHTR2AHTR2CHTR2B | |
| SCHEMBL8007544 | 0.73 | HTR2C (0.69) | KMOHTR2AHTR2CHTR2BHTR1A | |
| SCHEMBL8009907 | 0.73 | HTR2C (0.69) | KMOHTR2AHTR2CHTR2BHTR1A | |
| SCHEMBL8007696 | 0.70 | HTR2A (0.54) | KMOHTR2AHTR2CHTR2BHTR1A | |
| SCHEMBL411297 | 0.69 | ABCB1 (0.41) | KMOHTR2AHTR2CHDAC8 | |
| SCHEMBL20117056 | 0.69 | KMO (0.48) | KMOHTR2AHTR2CHTR2BHTR1A |
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 |