Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | OPRL1 | P41146 | 13/20 | 0.34 |
| ▸ | KDM1A | O60341 | 2/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL9631426 | 1.00 | CYP2C9 (0.37) | CYP2C9ALDH1A1MAPTLMNAMEN1 | |
| SCHEMBL18134228 | 0.99 | CYP2C9 (0.38) | CYP2C9ALDH1A1MAPTLMNAMEN1 | |
| SCHEMBL12733782 | 0.99 | CYP2C9 (0.38) | CYP2C9ALDH1A1MAPTLMNAMEN1 | |
| SCHEMBL3274912 | 0.99 | CYP2C9 (0.38) | CYP2C9ALDH1A1MAPTLMNAMEN1 | |
| SCHEMBL2604709 | 0.99 | CYP2C9 (0.38) | CYP2C9ALDH1A1MAPTLMNAMEN1 | |
| SCHEMBL30665195 | 0.99 | CYP2C9 (0.38) | CYP2C9ALDH1A1MAPTLMNAMEN1 | |
| SCHEMBL22277463 | 0.96 | CYP2C9 (0.35) | CYP2C9ALDH1A1MAPTLMNAMEN1 | |
| SCHEMBL22269486 | 0.96 | CYP2C9 (0.35) | CYP2C9ALDH1A1MAPTLMNAMEN1 | |
| SCHEMBL12032171 | 0.96 | KDM1A (0.35) | CYP2C9ALDH1A1MAPTLMNAMEN1 | |
| SCHEMBL17614853 | 0.94 | CYP2C9 (0.35) | CYP2C9ALDH1A1MAPTLMNAMEN1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0364538-B1 | DIFLUOROBENZOL DERIVATIVES | MERCK PATENT GmbH (DE) | 1992-05-06 | — | — | EP | disclosed |
| EP-0364538-A1 | DIFLUOROBENZOL DERIVATIVES. | MERCK PATENT GMBH (DE) | 1990-04-25 | — | — | EP | disclosed |
| WO-1989008633-A1 | DIFLUOROBENZOL DERIVATIVES | MERCK Patent Gesellschaft mit beschränkter Haftung (DE) | 1989-09-21 | — | — | WO | disclosed |