Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 2/20 | 0.46 |
| ▸ | ATM | Q13315 | 1/20 | 0.46 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.45 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.45 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | ACHE | P22303 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA7 | P43166 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.32 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.32 |
| ▸ | HTR2C | P28335 | 2/20 | 0.32 |
| ▸ | HTR2A | P28223 | 1/20 | 0.32 |
| ▸ | HTR2B | P41595 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL9065287 | 0.80 | TRPA1 (0.50) | TRPA1ATMGABRA1GABRB2CYP2A6 | |
| SCHEMBL30660859 | 0.80 | GABRA1 (0.60) | TRPA1ATMGABRA1GABRB2CYP2A6 | |
| SCHEMBL9346599 | 0.80 | TRPA1 (0.50) | TRPA1ATMGABRA1GABRB2CYP2A6 | |
| SCHEMBL2495517 | 0.80 | TSHR (0.45) | TRPA1ATMGABRA1GABRB2CYP2A6 | |
| SCHEMBL3167832 | 0.80 | GABRA1 (0.60) | TRPA1ATMGABRA1GABRB2CYP2A6 | |
| SCHEMBL26909713 | 0.79 | TRPA1 (0.44) | TRPA1ATMGABRA1GABRB2CYP2A6 | |
| SCHEMBL28985428 | 0.79 | GABRA1 (0.43) | TRPA1ATMGABRA1GABRB2CYP2A6 | |
| SCHEMBL10885410 | 0.78 | TRPA1 (0.48) | TRPA1ATMGABRA1GABRB2CYP2A6 | |
| SCHEMBL2917414 | 0.78 | TRPA1 (0.32) | TRPA1ATMCYP2A6CYP1A2TSHR | |
| SCHEMBL8853833 | 0.77 | TRPA1 (0.39) | TRPA1ATMGABRA1GABRB2CYP1A2 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5300717-A | Reacting o-xylene with propene; Friedel-Crafts catalyst; dehydrogenation. chlorination, condensation; intermediate for bisanhydride precursor for polyimides | HOECHST AKTIENGESELLSCHAFT (DE) | 1994-04-05 | — | — | US | claimed |
| EP-0009787-B2 | PROCESS FOR THE MONOHALOGENATION OF ALKYLBENZENES IN ALPHA POSITION | BAYER AG (DE) | 1986-07-09 | — | — | EP | disclosed |
| US-4331821-A | ULTRAVIOLET RADIATION OF A VAPORIZED ALKYLBENZEN AND HALOGEN GAS MIXTURE | BAYER AKTIENGESELLSCHAFT (DE) | 1982-05-25 | — | — | US | disclosed |
| EP-0009787-B1 | PROCESS FOR THE MONOHALOGENATION OF ALKYLBENZENES IN ALPHA POSITION | BAYER AG (DE) | 1982-01-13 | — | — | EP | disclosed |
| EP-0009787-A2 | Process for the monohalogenation of alkylbenzenes in alpha position | BAYER AG (DE) | 1980-04-16 | — | — | EP | disclosed |