Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE2A | O00408 | 2/20 | 0.36 |
| ▸ | PDE3B | Q13370 | 2/20 | 0.36 |
| ▸ | PDE3A | Q14432 | 2/20 | 0.36 |
| ▸ | P2RY12 | Q9H244 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | PYGL | P06737 | 1/20 | 0.34 |
| ▸ | PIP4K2A | P48426 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.32 |
| ▸ | TGFBR1 | P36897 | 2/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.31 |
| ▸ | OPRD1 | P41143 | 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 | |
|---|---|---|---|---|
| SCHEMBL7453833 | 0.89 | PDE3B (0.36) | PDE2APDE3BPDE3AP2RY12ALDH1A1 | |
| Hydrochloric Acid SCHEMBL7448617 | 0.88 | KLK1 (0.41) | PDE2APDE3BPDE3AP2RY12ALDH1A1 | |
| SCHEMBL7453272 | 0.80 | KLK1 (0.43) | ALDH1A1MAPTNPC1LMNAMAPK1 | |
| SCHEMBL7449392 | 0.80 | NPC1 (0.34) | ALDH1A1MAPTNPC1LMNAMAPK1 | |
| SCHEMBL7444335 | 0.79 | MAPT (0.41) | ALDH1A1MAPTNPC1LMNAMAPK1 | |
| Hydrochloric Acid SCHEMBL7449551 | 0.77 | PDE3B (0.36) | PDE2APDE3BPDE3AP2RY12MAPT | |
| SCHEMBL7445637 | 0.77 | ALDH1A1 (0.39) | ALDH1A1MAPTNPC1LMNAMAPK1 | |
| SCHEMBL7451792 | 0.74 | IDH1 (0.39) | ALDH1A1MAPTNPC1LMNAMAPK1 | |
| Hydrochloric Acid SCHEMBL7445965 | 0.73 | KLK1 (0.41) | ALDH1A1MAPTNPC1LMNAMAPK1 | |
| SCHEMBL9901721 | 0.73 | NQO2 (0.46) | ALDH1A1MAPTNPC1LMNAMAPK1 |
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 |