Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 3/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | RECQL | P46063 | 1/20 | 0.45 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.44 |
| ▸ | XBP1 | P17861 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | BLM | P54132 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | HTR1A | P08908 | 2/20 | 0.42 |
| ▸ | DRD2 | P14416 | 2/20 | 0.42 |
| ▸ | DRD4 | P21917 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL13588569 | 0.87 | MAPT (0.50) | ALDH1A1KMT2ALMNAMAPTGAA | |
| SCHEMBL28189241 | 0.80 | ALDH1A1 (0.45) | ALDH1A1KMT2ALMNAMAPTGAA | |
| SCHEMBL13197463 | 0.78 | ALDH1A1 (0.51) | ALDH1A1KMT2ALMNAMAPTGAA | |
| SCHEMBL4502485 | 0.78 | HTR2A (0.53) | ALDH1A1KMT2ALMNAMAPTGAA | |
| SCHEMBL28189243 | 0.78 | XBP1 (0.46) | ALDH1A1KMT2ALMNAMAPTGAA | |
| SCHEMBL14438274 | 0.77 | ALDH1A1 (0.54) | ALDH1A1KMT2ALMNAMAPTGAA | |
| Hydrochloric Acid SCHEMBL27199265 | 0.77 | TSHR (0.52) | ALDH1A1KMT2ALMNAMAPTGAA | |
| SCHEMBL28188595 | 0.77 | ALDH1A1 (0.45) | ALDH1A1KMT2ALMNAMAPTGAA | |
| SCHEMBL10824468 | 0.76 | ALDH1A1 (0.50) | ALDH1A1KMT2ALMNAMAPTGAA | |
| SCHEMBL28189242 | 0.76 | ALDH1A1 (0.44) | ALDH1A1KMT2ALMNAMAPTGAA |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6133446-A | Heterocyclic compounds for the treatment of CNS and cardiovascular disorders | PHARMACIA & UPJOHN COMPANY (US) | 2000-10-17 | — | — | US | disclosed |
| EP-0737189-B1 | HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF CNS AND CARDIOVASCULAR DISORDERS | UPJOHN CO (US) | 1999-07-28 | — | — | EP | disclosed |
| US-5877317-A | Heterocyclic compounds for the treatment of CNS and cardiovascular disorders | PHARMACIA & UPJOHN COMPANY (US) | 1999-03-02 | — | — | US | disclosed |
| WO-1995018118-A1 | HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF CNS AND CARDIOVASCULAR DISORDERS | THE UPJOHN COMPANY (US) | 1995-07-06 | — | — | WO | disclosed |