Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 2/20 | 0.59 |
| ▸ | ATM | Q13315 | 1/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | TSHR | P16473 | 2/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | ESR1 | P03372 | 5/20 | 0.44 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.43 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.43 |
| ▸ | CNR1 | P21554 | 4/20 | 0.42 |
| ▸ | CNR2 | P34972 | 4/20 | 0.42 |
| ▸ | TP53 | P04637 | 2/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| O-Xylene SCHEMBL29196869 | 0.91 | ALDH1A1 (0.52) | TRPA1ATMALDH1A1TSHRTDP1 | |
| Benzene SCHEMBL11421230 | 0.87 | ALDH1A1 (0.60) | ALDH1A1TSHRTDP1ESR1ESR2 | |
| SCHEMBL11645702 | 0.87 | ALDH1A1 (0.60) | ALDH1A1TSHRTDP1ESR1ESR2 | |
| SCHEMBL51085 | 0.87 | ALDH1A1 (0.60) | ALDH1A1TSHRTDP1ESR1ESR2 | |
| Benzene SCHEMBL27946537 | 0.85 | ALDH1A1 (0.58) | ALDH1A1TSHRTDP1ESR1ESR2 | |
| SCHEMBL29110944 | 0.85 | ALDH1A1 (0.58) | ALDH1A1TSHRTDP1ESR1ESR2 | |
| Barium SCHEMBL30124829 | 0.85 | ALDH1A1 (0.58) | ALDH1A1TSHRTDP1ESR1ESR2 | |
| Water SCHEMBL27929084 | 0.85 | ALDH1A1 (0.58) | ALDH1A1TSHRTDP1ESR1ESR2 | |
| Toluene SCHEMBL29196862 | 0.84 | ALDH1A1 (0.57) | TRPA1ATMALDH1A1TSHRTDP1 | |
| SCHEMBL980177 | 0.84 | TRPA1 (0.59) | TRPA1ATMALDH1A1TSHRTDP1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1238992-A2 | Graft polymer composition and its production process and uses | Nippon Shokubai Co., Ltd. (JP) | 2002-09-11 | — | — | EP | disclosed |