Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.48 |
| ▸ | ACHE | P22303 | 1/20 | 0.48 |
| ▸ | GABRA1 | P14867 | 3/20 | 0.46 |
| ▸ | GABRB2 | P47870 | 3/20 | 0.46 |
| ▸ | ESR1 | P03372 | 1/20 | 0.43 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.41 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.40 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.40 |
| ▸ | PGR | P06401 | 1/20 | 0.40 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.40 |
| ▸ | PTGS1 | P23219 | 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 | |
|---|---|---|---|---|
| SCHEMBL29420847 | 0.95 | GABRA1 (0.50) | TSHRGABRA1GABRB2ESR1ESR2 | |
| SCHEMBL140570 | 0.95 | GABRA1 (0.50) | TSHRGABRA1GABRB2ESR1ESR2 | |
| SCHEMBL10716892 | 0.93 | TAAR1 (0.45) | TSHRACHEGABRA1GABRB2ESR1 | |
| Benzene SCHEMBL2418654 | 0.93 | GABRA1 (0.48) | TSHRGABRA1GABRB2ESR1ESR2 | |
| Water SCHEMBL27401389 | 0.93 | GABRA1 (0.48) | TSHRGABRA1GABRB2ESR1ESR2 | |
| Ammonia Solution, Strong SCHEMBL4439587 | 0.93 | GABRA1 (0.48) | TSHRGABRA1GABRB2ESR1ESR2 | |
| SCHEMBL11666322 | 0.91 | GABRA1 (0.43) | TSHRACHEGABRA1GABRB2ESR1 | |
| Ethyne SCHEMBL27914949 | 0.91 | GABRA1 (0.46) | TSHRGABRA1GABRB2ESR1ESR2 | |
| Ethylbenzene SCHEMBL27280562 | 0.90 | TP53 (0.54) | TSHRACHEGABRA1GABRB2ESR1 | |
| Toluene SCHEMBL8939892 | 0.89 | ALOX12 (0.46) | TSHRACHEGABRA1GABRB2ESR1 |
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-4431857-A | INCREASED DISPROPORTIONATION AND TRANSETHYLATION OF ETHYLBENZENE TO XYLENES | STANDARD OIL COMPANY (INDIANA) (US) | 1984-02-14 | — | — | US | disclosed |