Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | CNR2 | P34972 | 1/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.41 |
| ▸ | CASP1 | P29466 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | HTR2A | P28223 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.40 |
| ▸ | CETP | P11597 | 1/20 | 0.40 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.39 |
| ▸ | HTR1A | P08908 | 1/20 | 0.39 |
| ▸ | ADRA2A | P08913 | 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 | |
|---|---|---|---|---|
| SCHEMBL11028811 | 0.96 | TP53 (0.52) | TP53GAAHTTALDH1A1CNR2 | |
| Hydrogen Peroxide SCHEMBL10891803 | 0.93 | TP53 (0.50) | TP53GAAHTTALDH1A1CNR2 | |
| SCHEMBL327380 | 0.89 | GABRA1 (0.46) | TP53ATMADRA2A | |
| SCHEMBL31613870 | 0.89 | GABRA1 (0.46) | TP53ATMADRA2A | |
| SCHEMBL3091432 | 0.86 | HTT (0.53) | TP53GAAHTTALDH1A1HPGD | |
| SCHEMBL6546789 | 0.86 | HTR1A (0.48) | TP53HTTALDH1A1SIGMAR1HPGD | |
| SCHEMBL29540478 | 0.86 | HTT (0.53) | TP53GAAHTTALDH1A1HPGD | |
| Benzene SCHEMBL3223041 | 0.83 | TP53 (0.58) | TP53ALDH1A1SIGMAR1HPGDALOX15 | |
| SCHEMBL40575 | 0.83 | — | — | |
| Benzene SCHEMBL28308118 | 0.83 | TP53 (0.58) | TP53ALDH1A1SIGMAR1HPGDALOX15 |
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-7563358-B2 | Process for the production of benzene, toluene, and xylenes | EXXONMOBIL CHEMICAL PATENTS INC. (US) | 2009-07-21 | — | — | US | disclosed |
| US-20080051615-A1 | Process for the production of benzene, toluene, and xylenes | EXXONMOBIL CHEMICAL PATENTS INC. | 2008-02-28 | — | — | US | disclosed |