Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRL1 | P41146 | 7/20 | 0.41 |
| ▸ | GAA | P10253 | 3/20 | 0.37 |
| ▸ | MEN1 | O00255 | 3/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.37 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 3/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | HTR1A | P08908 | 2/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL9250401 | 1.00 | OPRL1 (0.41) | OPRL1GAAMEN1KMT2AMAPK1 | |
| SCHEMBL9248396 | 0.86 | OPRL1 (0.46) | OPRL1GAAMEN1KMT2AMAPK1 | |
| SCHEMBL9248387 | 0.86 | OPRL1 (0.46) | OPRL1GAAMEN1KMT2AMAPK1 | |
| SCHEMBL9247574 | 0.82 | CYP2C9 (0.42) | OPRL1GAAMEN1KMT2AMAPK1 | |
| SCHEMBL9247584 | 0.82 | CYP2C9 (0.42) | OPRL1GAAMEN1KMT2AMAPK1 | |
| SCHEMBL9244946 | 0.82 | OPRL1 (0.41) | OPRL1GAAMEN1KMT2AMAPT | |
| SCHEMBL9244942 | 0.82 | OPRL1 (0.41) | OPRL1GAAMEN1KMT2AMAPT | |
| SCHEMBL9246798 | 0.80 | GAA (0.33) | OPRL1GAAMEN1KMT2AMAPT | |
| SCHEMBL9246803 | 0.80 | GAA (0.33) | OPRL1GAAMEN1KMT2AMAPT | |
| SCHEMBL9251391 | 0.78 | CYP2C9 (0.41) | OPRL1GAAMEN1KMT2AMAPK1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-1995013257-A1 | 2,6-DIFLUOROBENZENES AND THEIR USE IN LIQUID-CRYSTAL MIXTURES | MERCK PATENT GMBH (DE) | 1995-05-18 | — | — | WO | disclosed |