Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 13/20 | 0.43 |
| ▸ | SLC6A4 | P31645 | 13/20 | 0.43 |
| ▸ | SLC6A3 | Q01959 | 13/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 10/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 9/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | MLNR | O43193 | 1/20 | 0.33 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.33 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.33 |
| ▸ | ESR1 | P03372 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.33 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.33 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.33 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | HTR1A | P08908 | 1/20 | 0.33 |
| ▸ | CHRM5 | P08912 | 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 | |
|---|---|---|---|---|
| SCHEMBL11046036 | 1.00 | SLC6A2 (0.43) | SLC6A2SLC6A4SLC6A3KCNH2CYP2D6 | |
| SCHEMBL10904855 | 0.84 | ESR2 (0.43) | CYP2D6MEN1KMT2AESR1CYP3A4 | |
| SCHEMBL10904852 | 0.84 | ESR2 (0.43) | CYP2D6MEN1KMT2AESR1CYP3A4 | |
| SCHEMBL10935713 | 0.84 | ESR2 (0.43) | CYP2D6MEN1KMT2AESR1CYP3A4 | |
| SCHEMBL10904854 | 0.84 | ESR2 (0.43) | CYP2D6MEN1KMT2AESR1CYP3A4 | |
| SCHEMBL10935693 | 0.84 | ESR2 (0.43) | CYP2D6MEN1KMT2AESR1CYP3A4 | |
| SCHEMBL10904861 | 0.84 | ESR2 (0.43) | CYP2D6MEN1KMT2AESR1CYP3A4 | |
| SCHEMBL10935701 | 0.84 | ESR2 (0.43) | CYP2D6MEN1KMT2AESR1CYP3A4 | |
| SCHEMBL9628787 | 0.83 | SLC6A2 (0.43) | SLC6A2SLC6A4SLC6A3KCNH2CYP2D6 | |
| SCHEMBL9181519 | 0.83 | SLC6A2 (0.43) | SLC6A2SLC6A4SLC6A3KCNH2CYP2D6 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-59044332-A | — | — | None | — | — | JP | disclosed |
| JP-S5944332-A | 3,4-DICHLORO-BICYCLOHEXYLBENZENE DERIVATIVE | CHISSO CORP | 1984-03-12 | — | — | JP | disclosed |