Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 6/20 | 0.52 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.46 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.45 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.45 |
| ▸ | CTSS | P25774 | 1/20 | 0.44 |
| ▸ | CTSK | P43235 | 1/20 | 0.44 |
| ▸ | DRD2 | P14416 | 1/20 | 0.42 |
| ▸ | DRD4 | P21917 | 1/20 | 0.42 |
| ▸ | DRD3 | P35462 | 1/20 | 0.42 |
| ▸ | AGXT | P21549 | 1/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL14041054 | 1.00 | TAAR1 (0.52) | TAAR1ESR2CYP17A1CYP3A4CYP11B1 | |
| SCHEMBL429765 | 0.88 | TAAR1 (0.63) | TAAR1DRD2AGXTSLC6A3 | |
| SCHEMBL30777855 | 0.88 | CTSS (0.51) | CTSSCTSKDRD2DRD4DRD3 | |
| SCHEMBL196298 | 0.88 | CTSS (0.51) | CTSSCTSKDRD2DRD4DRD3 | |
| SCHEMBL18015823 | 0.87 | AGXT (0.57) | TAAR1CTSSCTSKDRD2DRD4 | |
| SCHEMBL502700 | 0.87 | TAAR1 (0.69) | TAAR1ESR2CYP17A1CYP3A4CYP11B1 | |
| Ammonia Solution, Strong SCHEMBL6195952 | 0.86 | TAAR1 (0.61) | TAAR1DRD2AGXTSLC6A3 | |
| SCHEMBL24005570 | 0.86 | CTSS (0.50) | CTSSCTSKAGXT | |
| SCHEMBL3167472 | 0.84 | TAAR1 (0.53) | TAAR1ESR2CYP17A1CYP3A4CYP11B1 | |
| SCHEMBL9289390 | 0.84 | TAAR1 (0.55) | TAAR1ESR2CYP17A1CYP3A4CYP11B1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116987509-B | Liquid crystal compound, composition and application thereof | 北京燕化集联光电技术有限公司 | 2024-09-10 | — | — | CN | disclosed |
| CN-116987509-A | Liquid crystal compound, composition and application thereof | 北京燕化集联光电技术有限公司 | 2023-11-03 | — | — | CN | disclosed |