Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.43 |
| ▸ | CA2 | P00918 | 2/20 | 0.43 |
| ▸ | CA9 | Q16790 | 2/20 | 0.43 |
| ▸ | HTR2A | P28223 | 1/20 | 0.43 |
| ▸ | HRH1 | P35367 | 2/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.38 |
| ▸ | DRD2 | P14416 | 1/20 | 0.38 |
| ▸ | DRD1 | P21728 | 1/20 | 0.38 |
| ▸ | DRD4 | P21917 | 1/20 | 0.38 |
| ▸ | DRD5 | P21918 | 1/20 | 0.38 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.38 |
| ▸ | GLA | P06280 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | AR | P10275 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL5273095 | 0.87 | CYP1A2 (0.41) | CA1CA2CA9SMN1; SMN2NPC1 | |
| SCHEMBL9502200 | 0.81 | CA2 (0.55) | CA1CA2CA9CALM1SMN1; SMN2 | |
| SCHEMBL4888961 | 0.81 | CYP1A2 (0.39) | CA1CA2CA9L3MBTL1SMN1; SMN2 | |
| SCHEMBL249386 | 0.81 | CA2 (0.63) | CA1CA2CA9SMN1; SMN2NPC1 | |
| Benzene SCHEMBL27447210 | 0.81 | CA2 (0.63) | CA1CA2CA9SMN1; SMN2NPC1 | |
| SCHEMBL19974316 | 0.79 | MAOB (0.44) | CYP1A2CYP3A4 | |
| SCHEMBL18671157 | 0.79 | SMN1; SMN2 (0.47) | CA1CA2CA9SMN1; SMN2NPC1 | |
| SCHEMBL4851116 | 0.78 | HTR1A (0.56) | L3MBTL1DRD2SMN1; SMN2NPC1AR | |
| Hydrogen Sulfide SCHEMBL27764015 | 0.78 | MAOB (0.42) | CYP1A2CYP3A4 | |
| SCHEMBL19743584 | 0.78 | IDO1 (0.52) | CA1CA2CA9CYP1A2CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2457900-A1 | New pyrazole derivatives having CRTh2 antagonistic behaviour | Almirall, S.A. (ES) | 2012-05-30 | — | — | EP | disclosed |