Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 2/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.58 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.47 |
| ▸ | SLC18A2 | Q05940 | 1/20 | 0.47 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.47 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.47 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | ALPI | P09923 | 1/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 0.46 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.46 |
| ▸ | XIAP | P98170 | 1/20 | 0.46 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.46 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.46 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.46 |
| ▸ | RPS6KA5 | O75582 | 1/20 | 0.46 |
| ▸ | RPS6KA4 | O75676 | 1/20 | 0.46 |
| ▸ | PRKACA | P17612 | 1/20 | 0.46 |
| ▸ | GSK3A | P49840 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL693965 | 0.91 | MAPK1 (0.57) | MAPK1CYP3A4TAAR1SLC18A2SIGMAR1 | |
| SCHEMBL1908735 | 0.91 | MAPK1 (0.57) | MAPK1CYP3A4TAAR1SLC18A2SIGMAR1 | |
| SCHEMBL1396350 | 0.91 | MAPK1 (0.57) | MAPK1CYP3A4TAAR1SLC18A2SIGMAR1 | |
| SCHEMBL3791285 | 0.83 | TAAR1 (0.47) | MAPK1CYP3A4TAAR1SLC18A2SIGMAR1 | |
| Hydrochloric Acid SCHEMBL2035354 | 0.81 | OPRM1 (0.46) | MAPK1CYP3A4TAAR1SLC18A2SIGMAR1 | |
| SCHEMBL30289970 | 0.81 | MAPK1 (0.64) | MAPK1CYP3A4EPHX1NPC1RAB9A | |
| SCHEMBL3956725 | 0.81 | MAPK1 (0.64) | MAPK1CYP3A4EPHX1NPC1RAB9A | |
| SCHEMBL4619656 | 0.81 | MAPK1 (0.64) | MAPK1CYP3A4EPHX1NPC1RAB9A | |
| SCHEMBL17045223 | 0.80 | OPRD1 (0.47) | MAPK1CYP3A4TAAR1SLC18A2SIGMAR1 | |
| SCHEMBL21314286 | 0.80 | OPRD1 (0.47) | MAPK1CYP3A4TAAR1SLC18A2SIGMAR1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-106458866-A | Aminocarbonyl carbamate compound | 爱思开生物制药株式会社 | 2017-02-22 | — | — | CN | disclosed |