Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.64 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.44 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.39 |
| ▸ | PPARG | P37231 | 1/20 | 0.39 |
| ▸ | PPARA | Q07869 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | STAT1 | P42224 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | HTR1A | P08908 | 1/20 | 0.38 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.38 |
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 SCHEMBL27524247 | 0.98 | TP53 (0.61) | TP53GABRA1GABRB2ALDH1A1HTT | |
| SCHEMBL6546008 | 0.87 | TP53 (0.46) | TP53GABRA1GABRB2ALDH1A1ALOX12 | |
| SCHEMBL9000240 | 0.85 | GABRA1 (0.52) | TP53GABRA1GABRB2MAPTNPSR1 | |
| Ethylbenzene SCHEMBL3227891 | 0.85 | TP53 (0.78) | TP53GABRA1GABRB2ALDH1A1PPARG | |
| Ethylbenzene SCHEMBL27633722 | 0.85 | TP53 (0.78) | TP53GABRA1GABRB2ALDH1A1PPARG | |
| Ethylbenzene SCHEMBL11185461 | 0.85 | TP53 (0.78) | TP53GABRA1GABRB2ALDH1A1PPARG | |
| SCHEMBL245773 | 0.85 | GABRA1 (0.57) | TP53GABRA1GABRB2MAPTNPSR1 | |
| SCHEMBL6548127 | 0.85 | HTT (0.51) | TP53GABRA1GABRB2ALDH1A1HTT | |
| SCHEMBL19644252 | 0.84 | GABRA1 (0.46) | TP53GABRA1GABRB2ALDH1A1RAB9A | |
| SCHEMBL11203713 | 0.84 | HTR2A (0.46) | TP53GABRA1GABRB2ALDH1A1ALOX12 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1019007-B | MANUFACTURE OF ALKYLBENZENES | LUMMUS CREST INC (US) | 1992-11-11 | — | — | CN | disclosed |
| US-5003119-A | Alkylation of benzene in the presence of a zeolite catalyst | LUMMUS CREST, INC. (US) | 1991-03-26 | — | — | US | disclosed |
| CN-1037699-A | The manufacturing of alkylbenzene | LUMMUS CREST INC (US) | 1989-12-06 | — | — | CN | disclosed |