Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NAAA | Q02083 | 1/20 | 0.50 |
| ▸ | MAOA | P21397 | 1/20 | 0.47 |
| ▸ | MAOB | P27338 | 1/20 | 0.47 |
| ▸ | BACH1 | O14867 | 2/20 | 0.47 |
| ▸ | MAFK | O60675 | 2/20 | 0.47 |
| ▸ | TRPA1 | O75762 | 8/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | MIF | P14174 | 5/20 | 0.40 |
| ▸ | KEAP1 | Q14145 | 2/20 | 0.39 |
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | EGFR | P00533 | 1/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.39 |
| ▸ | GSK3B | P49841 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL18912053 | 0.86 | — | — | |
| SCHEMBL988586 | 0.80 | NAAA (0.52) | NAAAMAOAMAOBBACH1MAFK | |
| SCHEMBL1267765 | 0.79 | — | — | |
| SCHEMBL18911845 | 0.79 | MIF (0.52) | NAAAMAOAMAOBBACH1MAFK | |
| SCHEMBL10406934 | 0.78 | CYP1A2 (0.41) | MAOAMAOBCYP1A2CYP2D6 | |
| SCHEMBL18791748 | 0.77 | CYP1A2 (0.70) | CYP1A2CYP2D6 | |
| SCHEMBL18911939 | 0.76 | NAAA (0.44) | NAAAMAOAMAOBBACH1MAFK | |
| Hydrochloric Acid SCHEMBL4278428 | 0.75 | CYP1A2 (0.68) | CYP1A2CYP2D6 | |
| SCHEMBL18912051 | 0.74 | NAAA (0.61) | NAAAMAOAMAOBBACH1MAFK | |
| SCHEMBL3811926 | 0.73 | NAAA (0.54) | NAAAMAOAMAOBBACH1MAFK |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017095975-A1 | COMPOUNDS AND METHODS FOR INHIBITING PRODUCTION OF TRIMETHYLAMINE | THE PROCTER & GAMBLE COMPANY (US) | 2017-06-08 | — | — | WO | disclosed |