Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD11B1 | P28845 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | UBE2N | P61088 | 1/20 | 0.42 |
| ▸ | HTR2A | P28223 | 2/20 | 0.42 |
| ▸ | HTR2C | P28335 | 2/20 | 0.42 |
| ▸ | DRD2 | P14416 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 2/20 | 0.41 |
| ▸ | HTR7 | P34969 | 1/20 | 0.41 |
| ▸ | HTR6 | P50406 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL8714385 | 0.93 | CYP2C19 (0.51) | HSD11B1CYP2C19CYP2D6MAPTSMN1; SMN2 | |
| SCHEMBL8713866 | 0.92 | OPRM1 (0.48) | HSD11B1CYP2C19CYP2D6MAPTSMN1; SMN2 | |
| SCHEMBL8710891 | 0.89 | HSD11B1 (0.51) | HSD11B1CYP2C19CYP2D6SMN1; SMN2KMT2A | |
| SCHEMBL8711355 | 0.89 | HSD11B1 (0.51) | HSD11B1CYP2C19CYP2D6SMN1; SMN2ALDH1A1 | |
| SCHEMBL8712025 | 0.89 | CYP2D6 (0.49) | HSD11B1CYP2C19CYP2D6SMN1; SMN2ALDH1A1 | |
| Hydrochloric Acid SCHEMBL8711024 | 0.88 | HSD11B1 (0.50) | HSD11B1CYP2C19CYP2D6SMN1; SMN2ALDH1A1 | |
| SCHEMBL8713835 | 0.88 | HSD11B1 (0.51) | HSD11B1CYP2C19CYP2D6SMN1; SMN2ALDH1A1 | |
| Fumaric Acid SCHEMBL8711305 | 0.87 | PTGIR (0.45) | HSD11B1CYP2C19CYP2D6MAPTSMN1; SMN2 | |
| Fumaric Acid SCHEMBL8711308 | 0.87 | PTGIR (0.45) | HSD11B1CYP2C19CYP2D6MAPTSMN1; SMN2 | |
| Fumaric Acid SCHEMBL8716649 | 0.85 | HSD11B1 (0.47) | HSD11B1CYP2C19CYP2D6SMN1; SMN2KMT2A |
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 |