Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 6/20 | 0.41 |
| ▸ | CHRNA4 | P43681 | 6/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 3/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| 3-Methylpyridine SCHEMBL27313811 | 0.87 | CHRNB2 (0.47) | CHRNB2CHRNA4CYP2A6CYP3A4MEN1 | |
| 3-Methylpyridine SCHEMBL826266 | 0.85 | CYP2A6 (0.46) | CHRNB2CHRNA4CYP2A6CYP3A4KDM4E | |
| 3-Methylpyridine SCHEMBL27858700 | 0.80 | — | — | |
| Morpholine SCHEMBL27741975 | 0.79 | CHRNB2 (0.40) | CHRNB2CHRNA4CYP2A6CYP3A4MEN1 | |
| 3-Methylpyridine SCHEMBL820155 | 0.78 | CYP2A6 (0.54) | CHRNB2CHRNA4CYP2A6CYP3A4KDM4E | |
| 3-Methylpyridine SCHEMBL29361018 | 0.78 | — | — | |
| 3-Methylpyridine SCHEMBL10530 | 0.78 | — | — | |
| Morpholine SCHEMBL6137775 | 0.77 | MEN1 (0.44) | CHRNB2CHRNA4CYP3A4MEN1KMT2A | |
| Toluene SCHEMBL3946837 | 0.77 | LMNA (0.50) | MEN1KMT2ACYP2C9KDM4EGAA | |
| 3-Methylpyridine SCHEMBL6514889 | 0.76 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-109956942-A | Tryptamines ketones derivant and application thereof | 上海翔锦生物科技有限公司 | 2019-07-02 | — | — | CN | disclosed |
| CN-104693193-B | Aryl methoxy isoindoline derivative and composition and their application method including it | 细胞基因公司 | 2018-09-18 | — | — | CN | disclosed |