Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.57 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.49 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.49 |
| ▸ | PDE10A | Q9Y233 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.48 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.48 |
| ▸ | CYSLTR2 | Q9NS75 | 4/20 | 0.47 |
| ▸ | CYSLTR1 | Q9Y271 | 4/20 | 0.47 |
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | MGAM | O43451 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL547194 | 0.86 | FFAR1 (0.63) | CYP1A2FFAR1AKR1B1HDAC1HDAC2 | |
| SCHEMBL27700541 | 0.84 | CYP1A2 (0.51) | CYP1A2FFAR1AKR1B1PDE10AALDH1A1 | |
| SCHEMBL4623799 | 0.84 | CYP1A2 (0.68) | CYP1A2PDE10AALDH1A1HDAC1HDAC2 | |
| SCHEMBL3533222 | 0.83 | KDM4E (0.55) | CYP1A2FFAR1AKR1B1ALDH1A1CYSLTR2 | |
| SCHEMBL3588078 | 0.81 | HDAC1 (0.66) | CYP1A2HDAC1HDAC2SMN1; SMN2NPC1 | |
| SCHEMBL11189914 | 0.81 | PSMB5 (0.51) | CYP1A2FFAR1AKR1B1ALDH1A1HDAC1 | |
| SCHEMBL22209124 | 0.81 | FFAR1 (0.80) | FFAR1AKR1B1CYSLTR2CYSLTR1GPBAR1 | |
| SCHEMBL2913941 | 0.80 | PDE10A (0.61) | CYP1A2PDE10ACYSLTR2CYSLTR1CYP2C19 | |
| SCHEMBL933224 | 0.79 | CYP1A2 (0.50) | CYP1A2FFAR1AKR1B1PDE10AALDH1A1 | |
| SCHEMBL5016773 | 0.78 | CYP1A2 (0.53) | CYP1A2FFAR1AKR1B1PDE10ACYSLTR1 |
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-101337856-A | Method for preparing methyl ketone compounds with heterocyclic ring | GUANGDONG RES INST PETROCHEMIC (CN) | 2009-01-07 | — | — | CN | disclosed |