Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.37 |
| ▸ | ESR1 | P03372 | 1/20 | 0.37 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | PDE4A | P27815 | 1/20 | 0.37 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.37 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.37 |
| ▸ | STAT6 | P42226 | 1/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.37 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.37 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.37 |
| ▸ | P4HB | P07237 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL14272966 | 0.81 | SLC6A3 (0.43) | ALDH1A1PTGS1PTGS2CYP3A4CYP2C9 | |
| SCHEMBL933744 | 0.81 | ALDH1A1 (0.43) | ALDH1A1CYP1A2CYP3A4CYP2C9LMNA | |
| SCHEMBL933418 | 0.80 | LMNA (0.46) | ALDH1A1CYP1A2CYP3A4CYP2C9LMNA | |
| SCHEMBL3404982 | 0.77 | ALDH1A1 (0.48) | ALDH1A1CYP1A2CYP3A4CYP2C9LMNA | |
| SCHEMBL989479 | 0.75 | CYP1A2 (0.43) | ALDH1A1CYP1A2CYP3A4CYP2C9LMNA | |
| SCHEMBL934996 | 0.71 | ALDH1A1 (0.46) | ALDH1A1CYP1A2CYP3A4CYP2C9LMNA | |
| SCHEMBL14060543 | 0.71 | ALDH1A1 (0.69) | ALDH1A1CYP1A2CYP3A4CYP2C9LMNA | |
| SCHEMBL788027 | 0.71 | LMNA (0.44) | ALDH1A1CYP1A2CYP3A4CYP2C9LMNA | |
| SCHEMBL14571908 | 0.69 | ALDH1A1 (0.42) | ALDH1A1PTGS1PTGS2LMNAKDM4E | |
| SCHEMBL787715 | 0.68 | KDM4E (0.41) | ALDH1A1CYP1A2CYP3A4CYP2C9LMNA |
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-2451781-A1 | PYRIDINE DERIVATIVES WITH UMAMI FLAVOUR | Givaudan SA (CH) | 2012-05-16 | — | — | EP | disclosed |
| WO-2011004016-A1 | PYRIDINE DERIVATIVES WITH UMAMI FLAVOUR | GIVAUDAN SA (CH) | 2011-01-13 | — | — | WO | disclosed |