Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | GNAI3 | P08754 | 4/20 | 0.33 |
| ▸ | GNAO1 | P09471 | 4/20 | 0.33 |
| ▸ | GNAI1 | P63096 | 4/20 | 0.33 |
| ▸ | CCR2 | P41597 | 1/20 | 0.32 |
| ▸ | NAAA | Q02083 | 2/20 | 0.31 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.30 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL4802426 | 0.89 | CYP1A2 (0.36) | CYP1A2GNAI3GNAO1GNAI1NAAA | |
| SCHEMBL7151606 | 0.89 | CYP1A2 (0.36) | CYP1A2GNAI3GNAO1GNAI1NAAA | |
| SCHEMBL28761246 | 0.87 | CYP1A2 (0.35) | CYP1A2GNAI3GNAO1GNAI1NAAA | |
| SCHEMBL28761245 | 0.86 | ALDH1A1 (0.33) | CYP1A2 | |
| SCHEMBL8029372 | 0.83 | CYP1A2 (0.38) | CYP1A2GNAI3GNAO1GNAI1 | |
| SCHEMBL8029226 | 0.83 | CYP1A2 (0.32) | CYP1A2NAAA | |
| SCHEMBL9649991 | 0.81 | CYP1A2 (0.41) | CYP1A2GNAI3GNAO1GNAI1 | |
| SCHEMBL9650027 | 0.81 | CYP1A2 (0.33) | CYP1A2GNAI3GNAO1GNAI1 | |
| SCHEMBL9650031 | 0.81 | CYP1A2 (0.33) | CYP1A2GNAI3GNAO1GNAI1 | |
| SCHEMBL9648561 | 0.81 | CYP1A2 (0.37) | CYP1A2GNAI3GNAO1GNAI1CCR2 |
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-111233605-B | Synthesis method of (trans ) -4-alkyl-4 '-alkyl-1, 1' -bicyclohexane | 西安瑞联新材料股份有限公司 | 2023-02-10 | — | — | CN | disclosed |
| CN-111233605-A | Synthesis method of (trans ) -4-alkyl-4 '-alkyl-1, 1' -bicyclohexane | 西安瑞联新材料股份有限公司 | 2020-06-05 | — | — | CN | disclosed |