Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMO | O15229 | 14/20 | 0.47 |
| ▸ | HTR1B | P28222 | 1/20 | 0.40 |
| ▸ | HTR2B | P41595 | 1/20 | 0.40 |
| ▸ | GPR65 | Q8IYL9 | 1/20 | 0.40 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.32 |
| ▸ | MMP13 | P45452 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL5776415 | 0.78 | HTR1B (0.60) | HTR1BHTR2BGPR65GRM2CYP1A2 | |
| SCHEMBL7078345 | 0.74 | HTR1B (0.62) | KMOHTR1BHTR2BGPR65CYP1A2 | |
| SCHEMBL6223694 | 0.69 | KMO (0.54) | KMOCYP1A2TSHR | |
| SCHEMBL6224171 | 0.66 | CHRNA7 (0.41) | KMOHPGD | |
| SCHEMBL24992986 | 0.66 | CNR1 (0.40) | — | |
| SCHEMBL14742013 | 0.64 | KMO (1.00) | KMO | |
| Hydrochloric Acid SCHEMBL5776581 | 0.64 | FAAH (0.42) | HTR1BHTR2BGPR65CYP1A2TSHR | |
| SCHEMBL16917822 | 0.63 | HTR1B (0.42) | HTR1BHTR2BGPR65TSHRHPGD | |
| SCHEMBL1938162 | 0.62 | KMO (0.81) | KMO | |
| SCHEMBL19817233 | 0.61 | NPC1 (0.60) | KMOCYP1A2CLK4CYP3A4CYP2D6 |
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-1321169-A1 | Combination of a serotonin receptor antagonist with a histidine decarboxylase inhibitor as a medicament | Biofrontera Pharmaceuticals AG (DE) | 2003-06-25 | — | — | EP | disclosed |
| US-5863924-A | Aryl pyrimidine derivatives | SYNTEX (U.S.A.) INC. (US) | 1999-01-26 | — | — | US | disclosed |