Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LTA4H | P09960 | 3/20 | 0.48 |
| ▸ | ESR1 | P03372 | 8/20 | 0.46 |
| ▸ | ESR2 | Q92731 | 6/20 | 0.46 |
| ▸ | CA12 | O43570 | 3/20 | 0.46 |
| ▸ | CA1 | P00915 | 3/20 | 0.46 |
| ▸ | CA2 | P00918 | 3/20 | 0.46 |
| ▸ | CA9 | Q16790 | 3/20 | 0.46 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.46 |
| ▸ | CA7 | P43166 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 3/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.44 |
| ▸ | MAPT | P10636 | 3/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.44 |
| ▸ | MEN1 | O00255 | 3/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| Hydroquinone SCHEMBL2212873 | 0.88 | LTA4H (0.52) | LTA4HESR1ESR2CA12CA1 | |
| Phenol SCHEMBL28699022 | 0.87 | CA12 (0.52) | LTA4HESR1ESR2CA12CA1 | |
| Resorcinol SCHEMBL28102659 | 0.80 | ALDH1A1 (0.55) | CA12CA1CA2CA9CA14 | |
| 4-Octylphenol SCHEMBL28666413 | 0.79 | PTGS2 (0.76) | ESR1LMNACYP3A4MAPTALDH1A1 | |
| Phenol SCHEMBL8658853 | 0.79 | ESR1 (0.42) | ESR1CA12CA1CA2CA9 | |
| SCHEMBL13189266 | 0.77 | IDO1 (0.50) | LTA4HESR1ESR2CA12CA1 | |
| Hydroquinone SCHEMBL60032 | 0.77 | LTA4H (0.52) | LTA4HESR1ESR2CA12CA1 | |
| Hydroquinone SCHEMBL8536783 | 0.77 | LTA4H (0.52) | LTA4HESR1ESR2CA12CA1 | |
| Hydroquinone SCHEMBL925171 | 0.77 | LTA4H (0.52) | LTA4HESR1ESR2CA12CA1 | |
| Hydroquinone SCHEMBL11136724 | 0.77 | LTA4H (0.52) | LTA4HESR1ESR2CA12CA1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-102655849-B | Novel compounds | DSM IP ASSETS BV | 2015-04-15 | — | — | CN | disclosed |