Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB1 | P08183 | 7/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 7/20 | 0.57 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.57 |
| ▸ | CHRM2 | P08172 | 3/20 | 0.44 |
| ▸ | MTNR1A | P48039 | 2/20 | 0.44 |
| ▸ | MTNR1B | P49286 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 3/20 | 0.42 |
| ▸ | LMNA | P02545 | 3/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.42 |
| ▸ | CACNA1F | O60840 | 2/20 | 0.42 |
| ▸ | HTR1A | P08908 | 2/20 | 0.42 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.42 |
| ▸ | DRD2 | P14416 | 2/20 | 0.42 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.42 |
| ▸ | HTR2A | P28223 | 2/20 | 0.42 |
| ▸ | HTR2C | P28335 | 2/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.42 |
| ▸ | DRD3 | P35462 | 2/20 | 0.42 |
| ▸ | SCN1A | P35498 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL9492817 | 1.00 | ABCB1 (0.57) | ABCB1CYP3A4CYP3A5CHRM2MTNR1A | |
| SCHEMBL9492153 | 0.95 | ABCB1 (0.60) | ABCB1CYP3A4CYP3A5CHRM2MTNR1A | |
| SCHEMBL9492147 | 0.95 | ABCB1 (0.60) | ABCB1CYP3A4CYP3A5CHRM2MTNR1A | |
| SCHEMBL9490435 | 0.94 | ABCB1 (0.57) | ABCB1CYP3A4CYP3A5CHRM2MTNR1A | |
| SCHEMBL9490440 | 0.94 | ABCB1 (0.57) | ABCB1CYP3A4CYP3A5CHRM2MTNR1A | |
| SCHEMBL9491747 | 0.92 | ABCB1 (0.57) | ABCB1CYP3A4CYP3A5CHRM2MTNR1A | |
| SCHEMBL9492266 | 0.92 | ABCB1 (0.56) | ABCB1CYP3A4CYP3A5CHRM2TSHR | |
| SCHEMBL9492262 | 0.92 | ABCB1 (0.56) | ABCB1CYP3A4CYP3A5CHRM2TSHR | |
| SCHEMBL10768930 | 0.91 | ABCB1 (0.57) | ABCB1CYP3A4CYP3A5CHRM2TSHR | |
| SCHEMBL10768935 | 0.91 | ABCB1 (0.57) | ABCB1CYP3A4CYP3A5CHRM2TSHR |
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 |
|---|---|---|---|---|---|---|---|
| EP-0231003-B1 | BASIC SUBSTITUTED PHENYLACETONITRILES, THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM | BASF Aktiengesellschaft (DE) | 1993-04-07 | — | — | EP | disclosed |
| EP-0231003-A2 | Basic substituted phenylacetonitriles, their preparation and medicaments containing them | BASF Aktiengesellschaft (DE) | 1987-08-05 | — | — | EP | disclosed |