Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 1/20 | 0.52 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.52 |
| ▸ | NQO2 | P16083 | 3/20 | 0.48 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.48 |
| ▸ | ADORA2B | P29275 | 3/20 | 0.48 |
| ▸ | AXL | P30530 | 2/20 | 0.47 |
| ▸ | CYP2A6 | P11509 | 6/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | PSIP1 | O75475 | 1/20 | 0.46 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.46 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.46 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.46 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | PIM1 | P11309 | 1/20 | 0.44 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.42 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.42 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL29456722 | 1.00 | PTGS1 (0.52) | PTGS1PTGS2NQO2ADORA2AADORA2B | |
| SCHEMBL17110530 | 0.82 | ADORA2A (0.47) | ADORA2AADORA2BALDH1A1SMN1; SMN2 | |
| SCHEMBL28852822 | 0.78 | PTGS2 (0.67) | PTGS1PTGS2NQO2ADORA2AADORA2B | |
| SCHEMBL29807525 | 0.77 | CYP2A6 (0.61) | PTGS2ADORA2AAXLCYP2A6MEN1 | |
| SCHEMBL1369508 | 0.77 | CYP2A6 (0.61) | PTGS2ADORA2AAXLCYP2A6MEN1 | |
| SCHEMBL30269979 | 0.77 | CYP2A6 (0.61) | PTGS2ADORA2AAXLCYP2A6MEN1 | |
| SCHEMBL3624974 | 0.75 | PTGS1 (0.54) | PTGS1PTGS2CYP2A6MKNK1MKNK2 | |
| SCHEMBL30252978 | 0.74 | CYP2A6 (0.43) | PTGS1PTGS2NQO2ADORA2AADORA2B | |
| SCHEMBL29059493 | 0.74 | PTGS1 (0.50) | PTGS1PTGS2NQO2ADORA2AADORA2B | |
| SCHEMBL19055026 | 0.74 | CYP2A6 (0.53) | ADORA2AAXLCYP2A6MEN1PSIP1 |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111303020-B | Synthetic method of 5-chloro-2- (pyridine-3-yl) pyridine-3-amine | 阿里生物新材料（常州）有限公司 | 2022-05-13 | — | — | CN | claimed |
| CN-111303020-A | Synthetic method of 5-chloro-2- (pyridine-3-yl) pyridine-3-amine | 阿里生物新材料（常州）有限公司 | 2020-06-19 | — | — | CN | claimed |
| CN-111303020-B | Synthetic method of 5-chloro-2- (pyridine-3-yl) pyridine-3-amine | 阿里生物新材料（常州）有限公司 | 2022-05-13 | — | — | CN | disclosed |
| CN-111303020-B | Synthetic method of 5-chloro-2- (pyridine-3-yl) pyridine-3-amine | 阿里生物新材料（常州）有限公司 | 2022-05-13 | — | — | CN | disclosed |
| CN-111303020-B | Synthetic method of 5-chloro-2- (pyridine-3-yl) pyridine-3-amine | 阿里生物新材料（常州）有限公司 | 2022-05-13 | — | — | CN | disclosed |
| CN-111606845-B | Synthesis method of 4-chloro-6-fluoropyridine-2-alcohol | 阿里生物新材料（常州）有限公司 | 2022-03-11 | — | — | CN | disclosed |
| CN-111606845-A | Synthesis method of 4-chloro-6-fluoropyridine-2-alcohol | 阿里生物新材料（常州）有限公司 | 2020-09-01 | — | — | CN | disclosed |
| CN-111303020-A | Synthetic method of 5-chloro-2- (pyridine-3-yl) pyridine-3-amine | 阿里生物新材料（常州）有限公司 | 2020-06-19 | — | — | CN | disclosed |
| CN-111303020-A | Synthetic method of 5-chloro-2- (pyridine-3-yl) pyridine-3-amine | 阿里生物新材料（常州）有限公司 | 2020-06-19 | — | — | CN | disclosed |
| CN-111303020-A | Synthetic method of 5-chloro-2- (pyridine-3-yl) pyridine-3-amine | 阿里生物新材料（常州）有限公司 | 2020-06-19 | — | — | CN | disclosed |