Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHKA | P35790 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | CTSL | P07711 | 1/20 | 0.31 |
| ▸ | CTSS | P25774 | 1/20 | 0.31 |
| ▸ | CTSK | P43235 | 1/20 | 0.31 |
| ▸ | MAOA | P21397 | 1/20 | 0.31 |
| ▸ | MAOB | P27338 | 1/20 | 0.31 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.30 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.30 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.30 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.30 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.30 |
| ▸ | RORC | P51449 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9630263 | 1.00 | CHKA (0.38) | CHKANPC1CYP1A2CYP2C19RAB9A | |
| SCHEMBL9630321 | 0.92 | CHKA (0.38) | CHKANPC1CYP1A2CYP2C19RAB9A | |
| SCHEMBL9630559 | 0.92 | MAOB (0.39) | CHKACTSLCTSSCTSKMAOA | |
| SCHEMBL9630317 | 0.92 | CHKA (0.38) | CHKANPC1CYP1A2CYP2C19RAB9A | |
| SCHEMBL9630563 | 0.92 | MAOB (0.39) | CHKACTSLCTSSCTSKMAOA | |
| SCHEMBL9631078 | 0.91 | CHKA (0.36) | CHKACYP2C19 | |
| SCHEMBL9631085 | 0.91 | CHKA (0.36) | CHKACYP2C19 | |
| SCHEMBL9630549 | 0.90 | RARB (0.36) | CHKACYP2C19 | |
| SCHEMBL9631144 | 0.90 | RARB (0.36) | CHKACYP2C19 | |
| SCHEMBL9630542 | 0.90 | RARB (0.36) | CHKACYP2C19 |
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 |