Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 3/20 | 0.49 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | HSD11B1 | P28845 | 3/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | HTR2A | P28223 | 2/20 | 0.44 |
| ▸ | HTR2C | P28335 | 2/20 | 0.44 |
| ▸ | DRD2 | P14416 | 1/20 | 0.44 |
| ▸ | GLA | P06280 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | PTGIR | P43119 | 1/20 | 0.42 |
| ▸ | HTR7 | P34969 | 1/20 | 0.42 |
| ▸ | HTR6 | P50406 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 3/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.42 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL9230131 | 0.99 | KCNH2 (0.50) | CYP2C19KCNH2CYP2D6CYP3A4HSD11B1 | |
| SCHEMBL8711355 | 0.89 | HSD11B1 (0.51) | CYP2C19CYP2D6HSD11B1POLBCYP1A2 | |
| SCHEMBL8710784 | 0.88 | HSD11B1 (0.50) | CYP2C19CYP2D6HSD11B1POLBCYP1A2 | |
| Hydrochloric Acid SCHEMBL8711024 | 0.88 | HSD11B1 (0.50) | CYP2C19CYP2D6HSD11B1POLBCYP1A2 | |
| SCHEMBL9228201 | 0.88 | HSD11B1 (0.49) | CYP2C19CYP2D6HSD11B1CYP1A2GAA | |
| Hydrochloric Acid SCHEMBL9228383 | 0.88 | HSD11B1 (0.49) | CYP2C19CYP2D6HSD11B1POLBCYP1A2 | |
| SCHEMBL8711076 | 0.88 | SMN1; SMN2 (0.50) | CYP2C19CYP2D6HSD11B1POLBCYP1A2 | |
| SCHEMBL8716656 | 0.87 | HSD11B1 (0.54) | HSD11B1HTR2AHTR2CDRD2PTGIR | |
| SCHEMBL8710827 | 0.87 | HSD11B1 (0.54) | HSD11B1HTR2AHTR2CDRD2PTGIR | |
| SCHEMBL8711096 | 0.87 | HSD11B1 (0.49) | CYP2C19KCNH2CYP2D6HSD11B1CYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| US-5728835-A | HYPOTENSIVE AGENTS; ANTIISCHEMIC AGENTS | TOA EIYO, LTD. (JP) | 1998-03-17 | — | — | US | disclosed |
| EP-0661266-A1 | Substituted cyclic amine compounds as 5HT2 antagonists | TOA EIYO LTD. (JP) | 1995-07-05 | — | — | EP | disclosed |