Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | ESR1 | P03372 | 1/20 | 0.44 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.44 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.42 |
| ▸ | CNR2 | P34972 | 2/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL798050 | 0.88 | ESR1 (0.58) | KDM4EALDH1A1MAPTL3MBTL1ESR1 | |
| SCHEMBL933437 | 0.86 | KDM4E (0.42) | KDM4EALDH1A1MAPTL3MBTL1ESR1 | |
| SCHEMBL798358 | 0.81 | CYP2C19 (0.46) | KDM4EALDH1A1CYP1A2CYP2C19TDP1 | |
| SCHEMBL8797884 | 0.77 | HRH1 (0.51) | ALDH1A1CYP1A2CYP2C19SMN1; SMN2HPGD | |
| SCHEMBL788202 | 0.76 | HRH1 (0.45) | KDM4EALDH1A1CYP1A2CYP2C19TDP1 | |
| SCHEMBL3704809 | 0.76 | KDM4E (0.59) | KDM4EALDH1A1MAPK1MAPTCYP1A2 | |
| SCHEMBL30942500 | 0.76 | TYR (0.68) | MAPTTDP1CYP3A4CNR2TSHR | |
| SCHEMBL12475666 | 0.74 | TYR (0.60) | KDM4EALDH1A1MAPTTDP1CYP3A4 | |
| SCHEMBL28907638 | 0.73 | CNR2 (0.52) | CNR2TYR | |
| SCHEMBL932822 | 0.73 | KDM4E (0.47) | KDM4EALDH1A1CYP1A2CYP2C19TDP1 |
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 |