Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC22A8 | Q8TCC7 | 4/20 | 0.43 |
| ▸ | SLC22A6 | Q4U2R8 | 2/20 | 0.40 |
| ▸ | ESR2 | Q92731 | 6/20 | 0.35 |
| ▸ | ESR1 | P03372 | 5/20 | 0.35 |
| ▸ | ERN1 | O75460 | 2/20 | 0.34 |
| ▸ | TRPA1 | O75762 | 3/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | ATM | Q13315 | 1/20 | 0.32 |
| ▸ | ACHE | P22303 | 1/20 | 0.31 |
| ▸ | TYR | P14679 | 1/20 | 0.31 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.31 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL7864192 | 0.79 | ERN1 (0.50) | ESR2ESR1ERN1KDM4EALDH1A1 | |
| SCHEMBL7746074 | 0.78 | SLC22A8 (0.45) | SLC22A8SLC22A6ESR2ESR1TRPA1 | |
| SCHEMBL16634440 | 0.74 | ALOX15 (0.35) | ESR2ESR1ERN1TRPA1ALOX15 | |
| SCHEMBL23953641 | 0.73 | ERN1 (0.44) | ERN1KDM4EALOX15 | |
| SCHEMBL1765685 | 0.72 | TRPA1 (0.40) | ESR2ESR1TRPA1KDM4EALDH1A1 | |
| SCHEMBL31084599 | 0.71 | SLC22A8 (0.66) | SLC22A8SLC22A6ALDH1A1 | |
| SCHEMBL28562792 | 0.70 | KDM4E (0.46) | ESR2ESR1TRPA1KDM4EALDH1A1 | |
| SCHEMBL4366147 | 0.70 | TRPA1 (0.39) | SLC22A8SLC22A6ESR2ESR1ERN1 | |
| SCHEMBL6560397 | 0.70 | MAOB (0.44) | ERN1TRPA1KDM4EALDH1A1GAA | |
| SCHEMBL23764927 | 0.69 | SLC22A8 (0.46) | SLC22A8SLC22A6ESR2ESR1TRPA1 |
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-104619682-A | Polyisocyanate composition and isocyanate polymer composition | ASAHI KASEI CHEMICALS CORP | 2015-05-13 | — | — | CN | disclosed |