Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD1 | P21728 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | RET | P07949 | 5/20 | 0.39 |
| ▸ | PLAT | P00750 | 1/20 | 0.39 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.38 |
| ▸ | HCRTR1 | O43613 | 6/20 | 0.35 |
| ▸ | HCRTR2 | O43614 | 6/20 | 0.35 |
| ▸ | STAT3 | P40763 | 1/20 | 0.35 |
| ▸ | STAT1 | P42224 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL28214769 | 0.81 | HCRTR1 (0.48) | CYP3A4CYP2D6CYP2C9HCRTR1HCRTR2 | |
| Hydrochloric Acid SCHEMBL30605726 | 0.80 | HCRTR1 (0.48) | CYP3A4CYP2D6CYP2C9HCRTR1HCRTR2 | |
| SCHEMBL28214787 | 0.78 | RAB9A (0.42) | NPC1RAB9ARETSLC6A3STAT3 | |
| SCHEMBL29644649 | 0.76 | NPC1 (0.45) | NPC1RAB9ARETSLC6A3STAT3 | |
| SCHEMBL30605718 | 0.73 | STAT3 (0.52) | NPC1RAB9ACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL19900060 | 0.72 | MAOB (0.49) | NPC1RAB9ACYP1A2CYP3A4CYP2C19 | |
| Hydrochloric Acid SCHEMBL30605737 | 0.72 | STAT3 (0.51) | NPC1RAB9ACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL28859400 | 0.70 | DRD1 (0.43) | DRD1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL17839606 | 0.69 | NR1H4 (0.48) | DRD1RET | |
| SCHEMBL29904884 | 0.69 | NR1H4 (0.46) | — |
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-108064223-A | FXR (NR1H4) modulating compound of hydroxyl | 吉利德科学公司 | 2018-05-22 | — | — | CN | disclosed |