Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.53 |
| ▸ | LMNA | P02545 | 2/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.53 |
| ▸ | HTT | P42858 | 1/20 | 0.53 |
| ▸ | HSD11B1 | P28845 | 3/20 | 0.51 |
| ▸ | HTR2A | P28223 | 2/20 | 0.47 |
| ▸ | HTR2C | P28335 | 2/20 | 0.47 |
| ▸ | DRD2 | P14416 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | HTR1A | P08908 | 1/20 | 0.45 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.45 |
| ▸ | HTR7 | P34969 | 1/20 | 0.45 |
| ▸ | HTR6 | P50406 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | BLM | P54132 | 1/20 | 0.44 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| Fumaric Acid SCHEMBL9230588 | 0.95 | ALDH1A1 (0.49) | ALDH1A1LMNASMN1; SMN2HTTHSD11B1 | |
| Fumaric Acid SCHEMBL9230591 | 0.95 | ALDH1A1 (0.49) | ALDH1A1LMNASMN1; SMN2HTTHSD11B1 | |
| SCHEMBL8716699 | 0.93 | HSD11B1 (0.53) | ALDH1A1LMNASMN1; SMN2HTTHSD11B1 | |
| SCHEMBL8711071 | 0.90 | CYP2D6 (0.52) | ALDH1A1LMNAHSD11B1HTR2AHTR2C | |
| SCHEMBL8710757 | 0.89 | ALDH1A1 (0.50) | ALDH1A1LMNASMN1; SMN2HTTHSD11B1 | |
| SCHEMBL8713259 | 0.89 | CYP2C19 (0.51) | ALDH1A1LMNASMN1; SMN2HTTHSD11B1 | |
| SCHEMBL8711336 | 0.87 | PTGIR (0.55) | ALDH1A1LMNASMN1; SMN2HSD11B1HTR2A | |
| SCHEMBL8710827 | 0.85 | HSD11B1 (0.54) | ALDH1A1LMNASMN1; SMN2HTTHSD11B1 | |
| Fumaric Acid SCHEMBL9230570 | 0.85 | CYP2D6 (0.48) | ALDH1A1LMNAHSD11B1HTR2AKMT2A | |
| Fumaric Acid SCHEMBL9230577 | 0.85 | CYP2D6 (0.48) | ALDH1A1LMNAHSD11B1HTR2AKMT2A |
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 |