Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 4/20 | 0.58 |
| ▸ | GABRB2 | P47870 | 4/20 | 0.58 |
| ▸ | TAAR1 | Q96RJ0 | 5/20 | 0.39 |
| ▸ | HTR1A | P08908 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.36 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.36 |
| ▸ | IDO1 | P14902 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | BLM | P54132 | 1/20 | 0.34 |
| ▸ | PDE7A | Q13946 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| Acetonitrile SCHEMBL28905971 | 0.90 | GABRA1 (0.48) | GABRA1GABRB2TAAR1HTR1ATSHR | |
| SCHEMBL12787109 | 0.86 | GABRA1 (0.54) | GABRA1GABRB2TAAR1HTR1ATSHR | |
| SCHEMBL1293367 | 0.86 | GABRA1 (0.48) | GABRA1GABRB2TAAR1TSHRKCNH2 | |
| SCHEMBL1293277 | 0.85 | GABRA1 (0.48) | GABRA1GABRB2TAAR1TSHRCYP1A2 | |
| SCHEMBL19289793 | 0.85 | GABRA1 (0.52) | GABRA1GABRB2TAAR1HTR1ATSHR | |
| SCHEMBL1294030 | 0.85 | GABRA1 (0.46) | GABRA1GABRB2TAAR1TSHRRIPK1 | |
| SCHEMBL14389055 | 0.85 | GABRA1 (0.52) | GABRA1GABRB2TAAR1HTR1ATSHR | |
| SCHEMBL6243179 | 0.82 | AKR1B1 (0.46) | GABRA1GABRB2TSHRCYP1A2CYP2C19 | |
| SCHEMBL245773 | 0.82 | GABRA1 (0.57) | GABRA1GABRB2TAAR1HTR1AKCNH2 | |
| SCHEMBL27838145 | 0.81 | GABRA1 (0.48) | GABRA1GABRB2TAAR1HTR1ATSHR |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110372469-A | Hydrogenate annulus [12] aromatic compound and preparation method thereof | 清华大学 | 2019-10-25 | — | — | CN | claimed |
| CN-110372468-A | Hydrogenate annulus [8] aromatic compound and preparation method thereof | 清华大学 | 2019-10-25 | — | — | CN | claimed |
| CN-109320435-A | The synthetic method of 2- (2,6- diethyl -4- methylbenzene) malononitrile | 江苏富鼎化学有限公司 | 2019-02-12 | — | — | CN | claimed |
| CN-1976918-A | 4,5-disubstituted-2-aryl pyrimidines | NEUROGEN CORP (US) | 2007-06-06 | — | — | CN | disclosed |
| EP-1053990-A2 | A method of producing an aromatic ketone and an aromatic ketone composition containing it | TORAY INDUSTRIES, INC. (JP) | 2000-11-22 | — | — | EP | disclosed |
| WO-2000026173-A1 | NOVEL RETINOIDS, METHODS FOR THEIR PRODUCTION AND USE | LIGAND PHARMACEUTICALS INCORPORATED (DE) | 2000-05-11 | — | — | WO | disclosed |
| US-6005007-A | SKIN DISORDERS | LIGAND PHARMACEUTICALS INCORPORATED | 1999-12-21 | — | — | US | disclosed |
| EP-0210612-A2 | Brominated alkylenebenzene derivatives as a base for hardly inflammable, biologically degradable functional fluids | HYDROCOR FORSCHUNGS- UND ANALYTIK GMBH (DE) | 1987-02-04 | — | — | EP | disclosed |