Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.78 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.46 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.46 |
| ▸ | PPARG | P37231 | 1/20 | 0.43 |
| ▸ | PPARA | Q07869 | 1/20 | 0.43 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | MGLL | Q99685 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Ethylbenzene SCHEMBL11185461 | 1.00 | TP53 (0.78) | TP53ALDH1A1GABRA1GABRB2PPARG | |
| Ethylbenzene SCHEMBL3227891 | 1.00 | TP53 (0.78) | TP53ALDH1A1GABRA1GABRB2PPARG | |
| Ethylbenzene SCHEMBL25402571 | 0.97 | TP53 (0.74) | TP53ALDH1A1GABRA1GABRB2PPARG | |
| Ethylbenzene SCHEMBL4822176 | 0.93 | TP53 (0.67) | TP53ALDH1A1GABRA1GABRB2PPARG | |
| SCHEMBL25425761 | 0.92 | TP53 (0.63) | TP53ALDH1A1GABRA1GABRB2MGLL | |
| Ethylbenzene SCHEMBL27524247 | 0.89 | TP53 (0.61) | TP53ALDH1A1GABRA1GABRB2PPARG | |
| Benzene SCHEMBL11603070 | 0.88 | TP53 (0.56) | TP53GABRA1GABRB2MGLL | |
| Ethylbenzene SCHEMBL11223212 | 0.88 | TP53 (1.00) | TP53ALDH1A1CALM1CYP1A2CYP2A6 | |
| Ethylbenzene SCHEMBL1332452 | 0.88 | — | — | |
| Benzene SCHEMBL3122858 | 0.88 | TP53 (0.56) | TP53GABRA1GABRB2MGLL |
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 |
|---|---|---|---|---|---|---|---|
| CN-1721377-A | Process for preparing p-xylene | SINOPEC CORP (CN) | 2006-01-18 | — | — | CN | disclosed |