Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 1/20 | 0.43 |
| ▸ | CCR1 | P32246 | 1/20 | 0.40 |
| ▸ | REN | P00797 | 3/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 8/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 7/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 4/20 | 0.36 |
| ▸ | OPRL1 | P41146 | 3/20 | 0.35 |
| ▸ | PRKAB2 | O43741 | 1/20 | 0.35 |
| ▸ | PRKAG1 | P54619 | 1/20 | 0.35 |
| ▸ | PRKAA2 | P54646 | 1/20 | 0.35 |
| ▸ | PRKAA1 | Q13131 | 1/20 | 0.35 |
| ▸ | PRKAG3 | Q9UGI9 | 1/20 | 0.35 |
| ▸ | PRKAG2 | Q9UGJ0 | 1/20 | 0.35 |
| ▸ | PRKAB1 | Q9Y478 | 1/20 | 0.35 |
| ▸ | OPRM1 | P35372 | 3/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | OPRD1 | P41143 | 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 | |
|---|---|---|---|---|
| Tert-Butyl Formate SCHEMBL28103947 | 0.85 | SIGMAR1 (0.41) | DRD2 | |
| SCHEMBL2274203 | 0.84 | DRD2 (0.59) | DRD2CCR1SLC6A3SLC6A4SLC6A2 | |
| Tert-Butyl Formate SCHEMBL27686523 | 0.83 | KCNN4 (0.42) | DRD2SLC6A3SLC6A4SLC6A2OPRL1 | |
| Tert-Butyl Formate SCHEMBL27640122 | 0.83 | SLC6A4 (0.41) | RENSLC6A3SLC6A4SLC6A2KCNH2 | |
| Tert-Butyl Formate SCHEMBL27573104 | 0.81 | OPRM1 (0.41) | DRD2RENSLC6A3SLC6A4SLC6A2 | |
| Tert-Butyl Formate SCHEMBL27640141 | 0.80 | SLC6A4 (0.39) | RENSLC6A3SLC6A4SLC6A2KCNH2 | |
| Tert-Butyl Formate SCHEMBL27520917 | 0.79 | DRD2 (0.38) | DRD2SLC6A3SLC6A4SLC6A2OPRL1 | |
| Tert-Butyl Formate SCHEMBL27677885 | 0.78 | DRD2 (0.42) | DRD2OPRL1OPRM1OPRD1 | |
| Tert-Butyl Formate SCHEMBL27521480 | 0.77 | DRD2 (0.46) | DRD2CCR1OPRL1OPRM1OPRD1 | |
| Tert-Butyl Formate SCHEMBL27567173 | 0.77 | DRD2 (0.45) | DRD2OPRL1OPRM1OPRD1 |
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-106232582-A | Aryl and heteroaryl ether compound as ROR gamma modulators | 格兰马克药品股份有限公司 | 2016-12-14 | — | — | CN | disclosed |