Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | ESR1 | P03372 | 1/20 | 0.35 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.33 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.33 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL20032302 | 0.89 | CYP3A4 (0.43) | CYP3A4ESR1ESR2SLC6A2SLC6A3 | |
| SCHEMBL21164366 | 0.86 | S1PR1 (0.36) | ESR1ESR2SLC6A2SLC6A3SLC6A4 | |
| SCHEMBL257515 | 0.81 | AGTR1 (0.42) | SLC6A2SLC6A3SLC6A4HPGDSMN1; SMN2 | |
| SCHEMBL27472082 | 0.81 | SLC6A2 (0.40) | CYP3A4SLC6A2SLC6A3SLC6A4KDM4E | |
| SCHEMBL21164367 | 0.79 | LMNA (0.39) | ESR1ESR2NR1I2ALDH1A1 | |
| SCHEMBL20289179 | 0.78 | TAS1R3 (0.47) | HPGDCYP2C9CYP2C19MAPTTAS1R3 | |
| SCHEMBL19003642 | 0.78 | ESR1 (0.37) | ESR1ESR2SLC6A2SLC6A3SLC6A4 | |
| SCHEMBL21164523 | 0.77 | SLC6A4 (0.36) | CYP3A4ESR1ESR2SLC6A2SLC6A3 | |
| SCHEMBL21125000 | 0.77 | AKR1C3 (0.38) | — | |
| SCHEMBL21164590 | 0.77 | MAPT (0.42) | NPC1CYP1A2CYP2C19RAB9ASMN1; SMN2 |
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-2719384-B1 | Novel 1-naphthyl-3-azabicyclo[3.1.0]hexanes:preparation and use to treat neuropsychiatric disorders | OTSUKA AMERICA PHARMACEUTICAL INC (US) | 2018-08-08 | — | — | EP | disclosed |