Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | NQO2 | P16083 | 2/20 | 0.32 |
| ▸ | KLK1 | P06870 | 2/20 | 0.32 |
| ▸ | KLK5 | Q9Y337 | 2/20 | 0.32 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.32 |
| ▸ | HTR1A | P08908 | 3/20 | 0.31 |
| ▸ | DRD4 | P21917 | 3/20 | 0.31 |
| ▸ | ADRA1D | P25100 | 3/20 | 0.31 |
| ▸ | ADRA1A | P35348 | 3/20 | 0.31 |
| ▸ | ADRA1B | P35368 | 3/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | HTR1B | P28222 | 1/20 | 0.31 |
| ▸ | HTR7 | P34969 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL7444535 | 0.90 | ALDH1A1 (0.40) | ALDH1A1LMNANPC1MAPTMAPK1 | |
| Hydrochloric Acid SCHEMBL7444759 | 0.85 | KLK1 (0.44) | ALDH1A1LMNANPC1MAPTMAPK1 | |
| Hydrochloric Acid SCHEMBL7454281 | 0.85 | KLK1 (0.44) | ALDH1A1LMNANPC1MAPTMAPK1 | |
| SCHEMBL7448713 | 0.83 | NQO2 (0.43) | ALDH1A1LMNANPC1MAPTMAPK1 | |
| SCHEMBL7447592 | 0.81 | NQO2 (0.39) | ALDH1A1LMNANPC1MAPTMAPK1 | |
| SCHEMBL7453308 | 0.81 | NQO2 (0.40) | ALDH1A1LMNANPC1MAPTMAPK1 | |
| SCHEMBL7446902 | 0.80 | F2 (0.41) | ALDH1A1LMNANPC1MAPTMAPK1 | |
| Hydrochloric Acid SCHEMBL7444749 | 0.80 | NQO2 (0.47) | ALDH1A1LMNANPC1MAPTMAPK1 | |
| SCHEMBL7449168 | 0.80 | KLK1 (0.45) | ALDH1A1LMNANPC1MAPTMAPK1 | |
| SCHEMBL7452514 | 0.80 | F2 (0.42) | ALDH1A1LMNANPC1MAPTMAPK1 |
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-0966454-A1 | DISUBSTITUTED BICYCLIC HETEROCYCLES, THEIR PRODUCTION AND USE AS MEDICAMENTS | Boehringer Ingelheim Pharma KG (DE) | 1999-12-29 | — | — | EP | disclosed |
| WO-1998037075-A1 | DISUBSTITUTED BICYCLIC HETEROCYCLES, THEIR PRODUCTION AND USE AS MEDICAMENTS | BOEHRINGER INGELHEIM PHARMA KG (DE) | 1998-08-27 | — | — | WO | disclosed |