Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 2/20 | 0.50 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.50 |
| ▸ | TYR | P14679 | 4/20 | 0.46 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.39 |
| ▸ | ESR1 | P03372 | 2/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.39 |
| ▸ | HTR1A | P08908 | 1/20 | 0.39 |
| ▸ | HTR1D | P28221 | 1/20 | 0.39 |
| ▸ | HTR1B | P28222 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 1/20 | 0.39 |
| ▸ | HTR2C | P28335 | 1/20 | 0.39 |
| ▸ | HTR2B | P41595 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL31732216 | 0.86 | GABRA1 (0.42) | GABRA1GABRB2TYR | |
| SCHEMBL5877825 | 0.84 | GABRA1 (0.68) | GABRA1GABRB2TYRSLC6A2ESR1 | |
| SCHEMBL1402200 | 0.84 | TYR (0.58) | GABRA1GABRB2TYR | |
| SCHEMBL27513139 | 0.83 | TYR (0.61) | GABRA1GABRB2TYRSLC6A2ESR1 | |
| SCHEMBL8625095 | 0.83 | CAMK2A (0.46) | GABRA1GABRB2CYP2C9NFKB1 | |
| SCHEMBL4187049 | 0.83 | GABRA1 (0.47) | GABRA1GABRB2TYRTAAR1ESR1 | |
| SCHEMBL4222808 | 0.83 | ESR2 (0.56) | GABRA1GABRB2TYRESR1ESR2 | |
| SCHEMBL11700185 | 0.81 | GABRA1 (0.45) | GABRA1GABRB2TYRTAAR1SLC6A2 | |
| SCHEMBL14983869 | 0.81 | TYR (0.46) | GABRA1GABRB2TYRESR1ESR2 | |
| SCHEMBL8878492 | 0.79 | EGFR (0.51) | GABRA1GABRB2CYP1A2CYP2C9CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| US-5081208-A | Using a catalyst system comprising the reaction product of a tungsten compound and a halo- or trihalomethylphenol and a trihydrocarbyltin hydride; RIM; kinetics | SHELL OIL COMPANY (US) | 1992-01-14 | — | — | US | disclosed |
| EP-0336486-A2 | Polymerization of norbornene derivatives and catalytic system suitable for use therein | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1989-10-11 | — | — | EP | disclosed |