Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.51 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | DHODH | Q02127 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | CCR1 | P32246 | 1/20 | 0.46 |
| ▸ | CCR5 | P51681 | 1/20 | 0.46 |
| ▸ | CCR8 | P51685 | 1/20 | 0.46 |
| ▸ | METAP1 | P53582 | 1/20 | 0.46 |
| ▸ | BLM | P54132 | 1/20 | 0.46 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.46 |
| ▸ | DOHH | Q9BU89 | 1/20 | 0.46 |
| ▸ | P4HTM | Q9NXG6 | 1/20 | 0.46 |
| ▸ | KDM6B | O15054 | 1/20 | 0.46 |
| ▸ | KDM4A | O75164 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| Propionic Acid SCHEMBL28890093 | 0.88 | CYP1A2 (0.47) | CYP2A6CYP1A2CYP2D6CYP19A1CYP2C9 | |
| Acetone SCHEMBL28141566 | 0.86 | CYP2A6 (0.57) | CYP2A6CYP1A2CYP2D6CYP19A1CYP2C9 | |
| SCHEMBL27725299 | 0.86 | CYP2A6 (0.57) | CYP2A6CYP1A2CYP2D6CYP19A1CYP2C9 | |
| 2,3-Pentanedione SCHEMBL27986428 | 0.85 | CYP1A2 (0.45) | CYP2A6CYP1A2CYP2D6CYP19A1CYP2C9 | |
| 2,3-Pentanedione SCHEMBL28307427 | 0.85 | CYP1A2 (0.45) | CYP2A6CYP1A2CYP2D6CYP19A1CYP2C9 | |
| Acetone SCHEMBL27890173 | 0.85 | CYP2A6 (0.55) | CYP2A6CYP1A2CYP2D6CYP19A1CYP2C9 | |
| Adipic Acid SCHEMBL28890670 | 0.84 | LTB4R (0.52) | CYP2A6DHODHFFAR1ALDH1A1L3MBTL1 | |
| SCHEMBL28563465 | 0.84 | CYP2A6 (0.50) | CYP2A6CYP1A2CYP2D6CYP19A1CYP2C9 | |
| Ethylamine SCHEMBL1649317 | 0.82 | CYP1A2 (0.56) | CYP2A6CYP1A2CYP2D6CYP19A1CYP2C9 | |
| SCHEMBL28214265 | 0.82 | CYP2A6 (0.57) | CYP2A6CYP1A2DHODHKDM4ELMNA |
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-111097050-A | Composition comprising fatty acid or derivative thereof and phenylpyridine derivative | 黄泳华 | 2020-05-05 | — | — | CN | disclosed |