Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B1 | P14061 | 2/20 | 0.40 |
| ▸ | HSD17B2 | P37059 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | NNMT | P40261 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 4/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | PPARG | P37231 | 1/20 | 0.38 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.37 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.37 |
| ▸ | TNIK | Q9UKE5 | 1/20 | 0.35 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.35 |
| ▸ | TYR | P14679 | 1/20 | 0.35 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.35 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.35 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL3413575 | 0.86 | OXTR (0.37) | HSD17B1HSD17B2KMT2AALDH1A1POLB | |
| SCHEMBL16836085 | 0.79 | TYR (0.46) | KMT2AALDH1A1MEN1CYP3A4MAPT | |
| SCHEMBL16685610 | 0.77 | TUBB4A (0.43) | KMT2AALDH1A1MEN1CYP3A4MAPT | |
| SCHEMBL27535652 | 0.75 | TYR (0.49) | KMT2AALDH1A1MEN1CYP3A4MAPT | |
| SCHEMBL3550308 | 0.73 | KMT2A (0.52) | KMT2AALDH1A1POLBNNMTMEN1 | |
| SCHEMBL8153518 | 0.71 | MAOB (0.44) | KMT2AMEN1CYP3A4MAPTPPARG | |
| SCHEMBL4443109 | 0.70 | CYP3A4 (0.56) | KMT2AALDH1A1MEN1CYP3A4MAPT | |
| SCHEMBL3630762 | 0.69 | KMT2A (0.45) | KMT2AALDH1A1POLBMEN1CHRNA7 | |
| SCHEMBL19926173 | 0.68 | NNMT (0.45) | KMT2AALDH1A1POLBNNMTMEN1 | |
| SCHEMBL29875071 | 0.68 | NNMT (0.45) | KMT2AALDH1A1POLBNNMTMEN1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2259689-A1 | FLAVOR MOLECULES | Givaudan SA (CH) | 2010-12-15 | — | — | EP | disclosed |
| WO-2009105906-A1 | FLAVOR MOLECULES | GIVAUDAN SA (CH) | 2009-09-03 | — | — | WO | disclosed |