Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A3 | Q01959 | 7/20 | 0.56 |
| ▸ | SLC6A4 | P31645 | 7/20 | 0.56 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.56 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.47 |
| ▸ | OPRL1 | P41146 | 2/20 | 0.47 |
| ▸ | MAOA | P21397 | 2/20 | 0.44 |
| ▸ | MAOB | P27338 | 2/20 | 0.44 |
| ▸ | KDM1A | O60341 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Ammonia Solution, Strong SCHEMBL28005559 | 0.98 | SLC6A3 (0.54) | SLC6A3SLC6A4SLC6A2OPRM1OPRL1 | |
| SCHEMBL13197431 | 0.94 | SLC6A3 (0.51) | SLC6A3SLC6A4SLC6A2OPRM1OPRL1 | |
| SCHEMBL24394081 | 0.94 | SLC6A3 (0.49) | SLC6A3SLC6A4SLC6A2OPRM1OPRL1 | |
| SCHEMBL13838853 | 0.90 | OPRL1 (0.52) | SLC6A3SLC6A4SLC6A2OPRM1OPRL1 | |
| Ammonia Solution, Strong SCHEMBL793057 | 0.88 | OPRL1 (0.50) | SLC6A3SLC6A4SLC6A2OPRM1OPRL1 | |
| SCHEMBL10602015 | 0.82 | ESR1 (0.42) | SLC6A3SLC6A4SLC6A2 | |
| SCHEMBL27100094 | 0.81 | OPRM1 (0.45) | SLC6A3SLC6A4SLC6A2OPRM1OPRL1 | |
| Water SCHEMBL6827490 | 0.79 | OPRM1 (0.44) | SLC6A3SLC6A4SLC6A2OPRM1OPRL1 | |
| SCHEMBL14625430 | 0.77 | SLC6A3 (0.52) | SLC6A3SLC6A4SLC6A2MAOAMAOB | |
| SCHEMBL25136611 | 0.76 | MAOA (0.44) | SLC6A3SLC6A4SLC6A2OPRM1OPRL1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0438575-A1 | BENZOL DERIVATIVES AND LIQUID CRYSTALLINE MEDIUM. | MERCK PATENT GMBH (DE) | 1991-07-31 | — | — | EP | disclosed |