Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 1/20 | 0.52 |
| ▸ | SLC6A2 | P23975 | 11/20 | 0.50 |
| ▸ | SLC6A4 | P31645 | 11/20 | 0.50 |
| ▸ | SLC6A3 | Q01959 | 11/20 | 0.50 |
| ▸ | KCNH2 | Q12809 | 8/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 8/20 | 0.50 |
| ▸ | MEN1 | O00255 | 3/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | MLNR | O43193 | 1/20 | 0.44 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.44 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.44 |
| ▸ | ESR1 | P03372 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.44 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.44 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.44 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.44 |
| ▸ | HTR1A | P08908 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL9870878 | 0.89 | SLC6A2 (0.58) | SLC6A2SLC6A4SLC6A3KCNH2CYP2D6 | |
| SCHEMBL10000883 | 0.83 | ESR2 (0.47) | ESR2SLC6A2SLC6A4SLC6A3KCNH2 | |
| SCHEMBL13408558 | 0.83 | ESR2 (0.47) | ESR2SLC6A2SLC6A4SLC6A3KCNH2 | |
| SCHEMBL15335800 | 0.81 | SLC6A2 (0.70) | SLC6A2SLC6A4SLC6A3KCNH2CYP2D6 | |
| SCHEMBL2407 | 0.81 | SLC6A2 (0.65) | SLC6A2SLC6A4SLC6A3KCNH2CYP2D6 | |
| SCHEMBL22817120 | 0.80 | ESR2 (0.53) | ESR2SLC6A2SLC6A4SLC6A3KCNH2 | |
| SCHEMBL22817118 | 0.80 | ESR2 (0.53) | ESR2SLC6A2SLC6A4SLC6A3KCNH2 | |
| SCHEMBL22817121 | 0.80 | ESR2 (0.53) | ESR2SLC6A2SLC6A4SLC6A3KCNH2 | |
| SCHEMBL4331978 | 0.79 | SLC6A2 (0.68) | SLC6A2SLC6A4SLC6A3KCNH2CYP2D6 | |
| SCHEMBL14274435 | 0.79 | ESR2 (0.43) | ESR2SLC6A2SLC6A4SLC6A3KCNH2 |
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-2009145357-A1 | IN 1-POSITION DURCH EINEN RING SUBSTITUIERTE BENZO [1, 4] DIAZEPINE ZUR VERWENDUNGS ALS ANTIDEPRESSIVA | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2009-12-03 | — | — | WO | disclosed |