Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.52 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.44 |
| ▸ | CASP1 | P29466 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.44 |
| ▸ | CNR2 | P34972 | 1/20 | 0.44 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.42 |
| ▸ | HTR2A | P28223 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.42 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| Hydrogen Peroxide SCHEMBL10891803 | 0.98 | TP53 (0.50) | TP53GAAALDH1A1HTTHPGD | |
| SCHEMBL3961595 | 0.96 | TP53 (0.48) | TP53GAAALDH1A1HTTHPGD | |
| SCHEMBL40575 | 0.87 | — | — | |
| SCHEMBL11594885 | 0.87 | TP53 (0.58) | TP53ALDH1A1HPGDALOX15ALOX12 | |
| Benzene SCHEMBL3223041 | 0.87 | TP53 (0.58) | TP53ALDH1A1HPGDALOX15ALOX12 | |
| Benzene SCHEMBL28308118 | 0.87 | TP53 (0.58) | TP53ALDH1A1HPGDALOX15ALOX12 | |
| Butylbenzyl SCHEMBL27330531 | 0.86 | ALDH1A1 (0.52) | TP53ALDH1A1HPGDHSD17B10SIGMAR1 | |
| SCHEMBL3091432 | 0.86 | HTT (0.53) | TP53GAAALDH1A1HTTHPGD | |
| SCHEMBL29540478 | 0.86 | HTT (0.53) | TP53GAAALDH1A1HTTHPGD | |
| Ethylbenzene SCHEMBL9448399 | 0.85 | TP53 (0.74) | TP53ALDH1A1HPGDALOX15ALOX12 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0085718-A4 | SELECTIVELY CALCINED DEHYDROGENATION CATALYST. | WILLIAMS DAVID L (US) | 1984-01-10 | — | — | EP | disclosed |
| EP-0085718-A1 | SELECTIVELY CALCINED DEHYDROGENATION CATALYST | WILLIAMS, David L. (US) | 1983-08-17 | — | — | EP | disclosed |
| WO-1983000687-A1 | SELECTIVELY CALCINED DEHYDROGENATION CATALYST | WILLIAMS, DAVID, L. | 1983-03-03 | — | — | WO | disclosed |