Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.36 |
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | CES2 | O00748 | 1/20 | 0.32 |
| ▸ | CES1 | P23141 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL25407 | 0.87 | — | — | |
| SCHEMBL28632541 | 0.84 | — | — | |
| Zinc Chloride SCHEMBL27773254 | 0.82 | CYP2A6 (0.47) | CYP2A6ALDH1A1ALOX15MAPK1TDP1 | |
| SCHEMBL2096471 | 0.79 | ALDH1A1 (0.55) | CYP2A6ALDH1A1ALOX15MAPK1TDP1 | |
| SCHEMBL28224117 | 0.79 | CYP2A6 (0.50) | CYP2A6ALDH1A1ALOX15MAPK1HTR2A | |
| Magnesium Chloride Anhydrous SCHEMBL28155761 | 0.73 | LMNA (0.50) | CYP2A6ALDH1A1ALOX15MAPK1TAAR1 | |
| SCHEMBL10439485 | 0.72 | CYP2C19 (0.50) | CYP2A6ALDH1A1 | |
| SCHEMBL3098976 | 0.72 | CYP2A6 (0.42) | CYP2A6ALDH1A1ALOX15MAPK1TDP1 | |
| SCHEMBL5540429 | 0.72 | MAPT (0.58) | CYP2A6ALDH1A1MAPK1TDP1CA1 | |
| Magnesium Chloride Anhydrous SCHEMBL27258787 | 0.71 | CA1 (0.36) | TAAR1CA1CA2CES2CES1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111943886-B | Substituted pyridine compound and preparation method thereof | 华中师范大学 | 2022-02-08 | — | — | CN | disclosed |
| CN-111961045-A | Synthesis method of 1, 6-naphthyridine-4 (1H) -ketone compound | 南京纳丁菲医药科技有限公司 | 2020-11-20 | — | — | CN | disclosed |
| CN-111943886-A | Substituted pyridine compound and preparation method thereof | 华中师范大学 | 2020-11-17 | — | — | CN | disclosed |