Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 9/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.38 |
| ▸ | HTR1A | P08908 | 1/20 | 0.36 |
| ▸ | DRD2 | P14416 | 1/20 | 0.36 |
| ▸ | DRD1 | P21728 | 1/20 | 0.36 |
| ▸ | DRD5 | P21918 | 1/20 | 0.36 |
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
| ▸ | DRD3 | P35462 | 1/20 | 0.36 |
| ▸ | FAAH | O00519 | 1/20 | 0.36 |
| ▸ | APP | P05067 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL19542809 | 0.93 | HRH3 (0.40) | HRH3KCNH2CYP3A4CYP2C9HTR1A | |
| SCHEMBL19542808 | 0.92 | HRH3 (0.38) | HRH3KCNH2CYP3A4CYP2C9HTR1A | |
| SCHEMBL18310461 | 0.89 | HRH3 (0.34) | HRH3KCNH2CYP3A4CYP2C9HTR1A | |
| SCHEMBL19542789 | 0.85 | HRH3 (0.40) | HRH3KCNH2CYP3A4CYP2C9HTR1A | |
| SCHEMBL18310393 | 0.84 | HRH3 (0.36) | HRH3KCNH2CYP3A4CYP2C9HTR1A | |
| SCHEMBL19850730 | 0.83 | NQO1 (0.41) | DRD2RAB9A | |
| SCHEMBL18310443 | 0.80 | HRH3 (0.34) | HRH3KCNH2CYP3A4CYP2C9HTR1A | |
| SCHEMBL15274896 | 0.78 | NQO1 (0.45) | DRD2RAB9A | |
| SCHEMBL13417726 | 0.78 | DRD2 (0.44) | CYP3A4DRD2RAB9A | |
| SCHEMBL15581252 | 0.78 | HRH3 (0.41) | HRH3KCNH2CYP3A4CYP2C9HTR1A |
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 |
|---|---|---|---|---|---|---|---|
| US-20170313939-A1 | LIQUID CRYSTAL COMPOSITION AND ITS APPLICATION | BEIJING BAYI SPACE LCD TECHNOLOGY CO., LTD (CN) | 2017-11-02 | — | — | US | disclosed |