Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMO | O15229 | 1/20 | 0.36 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.35 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.35 |
| ▸ | GPR119 | Q8TDV5 | 6/20 | 0.34 |
| ▸ | NAMPT | P43490 | 1/20 | 0.32 |
| ▸ | HTR2A | P28223 | 3/20 | 0.32 |
| ▸ | HTR2C | P28335 | 3/20 | 0.32 |
| ▸ | HTR2B | P41595 | 3/20 | 0.32 |
| ▸ | HTR1A | P08908 | 2/20 | 0.32 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.32 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.32 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.32 |
| ▸ | HTR1D | P28221 | 1/20 | 0.32 |
| ▸ | HTR7 | P34969 | 1/20 | 0.32 |
| ▸ | HTR4 | Q13639 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | CLK1 | P49759 | 1/20 | 0.31 |
| ▸ | ACSS2 | Q9NR19 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL8009274 | 0.83 | KMO (0.38) | KMOAKR1C3AKR1C2HTR2AHTR2C | |
| SCHEMBL8007690 | 0.74 | HTR2A (0.40) | KMOAKR1C3AKR1C2GPR119NAMPT | |
| Fumaric Acid SCHEMBL8009714 | 0.70 | HTR2A (0.56) | KMOAKR1C3AKR1C2HTR2AHTR2C | |
| Fumaric Acid SCHEMBL8007684 | 0.70 | HTR2A (0.56) | KMOAKR1C3AKR1C2HTR2AHTR2C | |
| Fumaric Acid SCHEMBL8009708 | 0.70 | HTR2A (0.56) | KMOAKR1C3AKR1C2HTR2AHTR2C | |
| SCHEMBL23904366 | 0.66 | NAMPT (0.44) | KMOAKR1C3AKR1C2GPR119NAMPT | |
| SCHEMBL5678015 | 0.63 | SMN1; SMN2 (0.46) | MAPK1ALDH1A1 | |
| SCHEMBL23904481 | 0.62 | AKR1C3 (0.39) | AKR1C3AKR1C2GPR119 | |
| SCHEMBL5682170 | 0.61 | — | — | |
| SCHEMBL8007796 | 0.61 | CA2 (0.42) | KMOGPR119HTR2AHTR2CHTR2B |
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 |