Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.37 |
| ▸ | HSP90B1 | P14625 | 1/20 | 0.37 |
| ▸ | OPRK1 | P41145 | 5/20 | 0.36 |
| ▸ | TSHR | P16473 | 3/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.34 |
| ▸ | HPGD | P15428 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | CASP1 | P29466 | 2/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | CASP7 | P55210 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | HTT | P42858 | 2/20 | 0.33 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.33 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.33 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 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 | |
|---|---|---|---|---|
| SCHEMBL9368527 | 0.81 | — | — | |
| SCHEMBL10691914 | 0.80 | HSP90AA1 (0.41) | HSP90AA1HSP90B1OPRK1TSHRALDH1A1 | |
| SCHEMBL10775310 | 0.80 | HSP90AA1 (0.35) | HSP90AA1HSP90B1TSHRCYP1A2CYP2D6 | |
| SCHEMBL9369097 | 0.78 | RAB9A (0.49) | HSP90AA1HSP90B1LMNATP53KMT2A | |
| SCHEMBL9369119 | 0.78 | HTR7 (0.43) | HSP90AA1HSP90B1OPRK1ALDH1A1CYP1A2 | |
| SCHEMBL9369816 | 0.78 | HSP90AA1 (0.37) | HSP90AA1HSP90B1ALDH1A1CYP1A2CYP2D6 | |
| SCHEMBL9369394 | 0.76 | MEN1 (0.32) | ALDH1A1CYP1A2CYP2D6CYP2C9CYP3A4 | |
| SCHEMBL9371807 | 0.75 | FGFR1 (0.35) | — | |
| SCHEMBL9368824 | 0.73 | — | — | |
| SCHEMBL9368544 | 0.72 | — | — |
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-0244803-B1 | Novel dopamine beta hydroxylase inhibitors | MERRELL DOW PHARMA (US) | 1994-10-26 | — | — | EP | disclosed |
| EP-0244803-A2 | Novel dopamine beta hydroxylase inhibitors | MERRELL DOW PHARMACEUTICALS INC. (US) | 1987-11-11 | — | — | EP | disclosed |