Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LTA4H | P09960 | 2/20 | 0.58 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.58 |
| ▸ | BAX | Q07812 | 1/20 | 0.58 |
| ▸ | CA12 | O43570 | 2/20 | 0.48 |
| ▸ | CA1 | P00915 | 2/20 | 0.48 |
| ▸ | CA2 | P00918 | 2/20 | 0.48 |
| ▸ | CA3 | P07451 | 2/20 | 0.48 |
| ▸ | CA4 | P22748 | 2/20 | 0.48 |
| ▸ | CA9 | Q16790 | 2/20 | 0.48 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.48 |
| ▸ | GLA | P06280 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | ESR1 | P03372 | 8/20 | 0.46 |
| ▸ | ESR2 | Q92731 | 8/20 | 0.46 |
| ▸ | MMP3 | P08254 | 1/20 | 0.46 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL31556330 | 0.98 | LTA4H (0.62) | LTA4HNR1H2BAXCA12CA1 | |
| Phenol SCHEMBL8417230 | 0.95 | CA4 (0.55) | LTA4HNR1H2BAXCA12CA1 | |
| SCHEMBL4392680 | 0.87 | ESR2 (0.55) | LTA4HNR1H2BAXCA12CA1 | |
| SCHEMBL13289 | 0.87 | LTA4H (0.50) | LTA4HNR1H2BAXCA1CA2 | |
| Bisphenol A SCHEMBL25286041 | 0.84 | ESR1 (0.66) | LTA4HNR1H2BAXESR1ESR2 | |
| SCHEMBL28621743 | 0.84 | LMNA (0.57) | LTA4HNR1H2BAXTDP1ESR1 | |
| SCHEMBL6479491 | 0.84 | LTA4H (0.43) | LTA4HNR1H2BAXCA1CA2 | |
| SCHEMBL11679017 | 0.84 | LTA4H (0.47) | LTA4HNR1H2BAXCA1CA2 | |
| SCHEMBL11681119 | 0.84 | LTA4H (0.47) | LTA4HNR1H2BAXCA1CA2 | |
| Bromide SCHEMBL661543 | 0.84 | LTA4H (0.47) | LTA4HNR1H2BAXCA1CA2 |
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 |
|---|---|---|---|---|---|---|---|
| US-6498231-B2 | HEAT RESISTANCE AND STORAGE STABILITY | NIPPON SHOKUBAI CO., LTD. (JP) | 2002-12-24 | — | — | US | disclosed |