Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 13/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.36 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.36 |
| ▸ | HTR1A | P08908 | 1/20 | 0.36 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.36 |
| ▸ | DRD2 | P14416 | 1/20 | 0.36 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.36 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.36 |
| ▸ | CNR1 | P21554 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.36 |
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.36 |
| ▸ | MC4R | P32245 | 1/20 | 0.36 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.36 |
| ▸ | HRH1 | P35367 | 1/20 | 0.36 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL7789516 | 0.79 | SIGMAR1 (0.53) | SIGMAR1TSHREPHX1TAAR1 | |
| SCHEMBL19559843 | 0.73 | SIGMAR1 (0.53) | SIGMAR1CYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL15375405 | 0.73 | EPHX1 (0.44) | SIGMAR1CYP1A2SLC6A2SLC6A4SLC6A3 | |
| Hydrochloric Acid SCHEMBL11783856 | 0.71 | LMNA (0.36) | SIGMAR1ADRB2ADRB1HTR1AADORA3 | |
| SCHEMBL18435256 | 0.70 | SIGMAR1 (0.46) | SIGMAR1CYP1A2CYP3A4CYP2D6TSHR | |
| Hydrochloric Acid SCHEMBL11784908 | 0.69 | SIGMAR1 (0.35) | SIGMAR1ADRB2ADRB1HTR1AADORA3 | |
| SCHEMBL9182989 | 0.68 | MEN1 (0.59) | SIGMAR1 | |
| SCHEMBL9182985 | 0.68 | MEN1 (0.59) | SIGMAR1 | |
| SCHEMBL25045960 | 0.67 | SIGMAR1 (0.44) | SIGMAR1CYP1A2CYP3A4CYP2D6TSHR | |
| SCHEMBL3829583 | 0.67 | ACE (0.42) | SIGMAR1CYP1A2EPHX1TAAR1 |
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-2017096315-A1 | TRIAZOLE DAGL(α) INHIBITORS | THE SCRIPPS RESEARCH INSTITUTE (US) | 2017-06-08 | — | — | WO | disclosed |