Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.36 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.35 |
| ▸ | MAOA | P21397 | 2/20 | 0.35 |
| ▸ | MAOB | P27338 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | DHFR | P00374 | 2/20 | 0.33 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.31 |
| ▸ | TTR | P02766 | 1/20 | 0.31 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.31 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.31 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.31 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.31 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL28313824 | 0.84 | TLR8 (0.40) | TRPA1CYP19A1MAOAMAOBKDM4E | |
| SCHEMBL31545249 | 0.72 | AHR (0.46) | TRPA1MAOAMAOBMEN1KMT2A | |
| SCHEMBL28313823 | 0.71 | CYP19A1 (0.45) | TRPA1CYP19A1MAOAMAOBKDM4E | |
| SCHEMBL29428982 | 0.69 | MAOB (0.47) | TRPA1CYP19A1MAOAMAOBMEN1 | |
| SCHEMBL1230308 | 0.69 | MAOB (0.47) | TRPA1CYP19A1MAOAMAOBMEN1 | |
| SCHEMBL1230310 | 0.69 | MAOB (0.47) | TRPA1CYP19A1MAOAMAOBMEN1 | |
| 1-Pentanol SCHEMBL27870833 | 0.69 | CYP19A1 (0.41) | TRPA1CYP19A1MAOAMAOBKDM4E | |
| SCHEMBL157941 | 0.68 | TRPA1 (0.40) | TRPA1CYP19A1MAOAMAOBALDH1A1 | |
| Propanol SCHEMBL27730497 | 0.68 | TRPA1 (0.43) | TRPA1CYP19A1MAOAMAOBDHFR | |
| (Z)-1,2-Diphenylethene SCHEMBL28122368 | 0.68 | TRPA1 (0.40) | TRPA1CYP19A1MAOAMAOBALDH1A1 |
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-102471274-A | Process and materials for the preparation of N-substituted pyridine compounds | ROCHE DIAGNOSTICS GMBH | 2012-05-23 | — | — | CN | disclosed |