Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRL1 | P41146 | 8/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | AR | P10275 | 2/20 | 0.34 |
| ▸ | GAA | P10253 | 3/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | PGR | P06401 | 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 | |
|---|---|---|---|---|
| SCHEMBL9447349 | 1.00 | OPRL1 (0.39) | OPRL1CYP1A2ARGAAMEN1 | |
| SCHEMBL9447260 | 0.99 | OPRL1 (0.38) | OPRL1CYP1A2ARGAAMEN1 | |
| SCHEMBL9447253 | 0.99 | OPRL1 (0.38) | OPRL1CYP1A2ARGAAMEN1 | |
| SCHEMBL9447251 | 0.99 | OPRL1 (0.38) | OPRL1CYP1A2ARGAAMEN1 | |
| SCHEMBL9447230 | 0.96 | OPRL1 (0.37) | OPRL1CYP1A2ARGAAMEN1 | |
| SCHEMBL9447233 | 0.96 | OPRL1 (0.37) | OPRL1CYP1A2ARGAAMEN1 | |
| SCHEMBL9447476 | 0.96 | OPRL1 (0.38) | OPRL1ARGAAMEN1KMT2A | |
| SCHEMBL9447473 | 0.96 | OPRL1 (0.38) | OPRL1ARGAAMEN1KMT2A | |
| SCHEMBL9447218 | 0.95 | OPRL1 (0.38) | OPRL1ARGAAMEN1KMT2A | |
| SCHEMBL9447163 | 0.95 | OPRL1 (0.38) | OPRL1ARGAAMEN1KMT2A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5211878-A | Difluorobenzonitrile derivatives | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1993-05-18 | — | — | US | disclosed |