Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.50 |
| ▸ | CES1 | P23141 | 2/20 | 0.50 |
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 5/20 | 0.44 |
| ▸ | CA2 | P00918 | 5/20 | 0.44 |
| ▸ | GSK3B | P49841 | 1/20 | 0.43 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.43 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.43 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.43 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL135620 | 0.79 | HDAC3 (0.59) | CES2CES1NPC1RAB9ALMNA | |
| SCHEMBL28564717 | 0.77 | CES2 (0.45) | CES2CES1LMNAMAPTCA1 | |
| SCHEMBL28561506 | 0.77 | CES2 (0.45) | CES2CES1NPC1LMNAMAPT | |
| SCHEMBL290340 | 0.76 | CES2 (0.46) | CES2CES1MEN1MAPTHPGD | |
| SCHEMBL27804569 | 0.76 | CYP19A1 (0.44) | CES2CES1MEN1POLBMAPT | |
| Hydrochloric Acid SCHEMBL19379612 | 0.72 | PLK1 (0.45) | CES2CES1NPC1RAB9ALMNA | |
| SCHEMBL22767089 | 0.70 | CA1 (0.58) | CES2CES1NPC1RAB9AMEN1 | |
| SCHEMBL4446152 | 0.70 | NPC1 (0.42) | CES2CES1NPC1RAB9ALMNA | |
| SCHEMBL14161830 | 0.70 | CA1 (0.59) | CES2CES1RAB9AMEN1LMNA | |
| SCHEMBL6379810 | 0.69 | HDAC3 (0.61) | CES2CES1NPC1RAB9ALMNA |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105646358-B | A kind of synthetic method of 3 amino 5 (4 anisyl) pyrazoles | 苏州艾缇克药物化学有限公司 | 2018-03-09 | — | — | CN | claimed |
| CN-105646358-A | Synthesizing method of 3-amino-5-(4-methoxyphenyl) pyrazole | 苏州艾缇克药物化学有限公司 | 2016-06-08 | — | — | CN | claimed |
| CN-105254564-A | Synthesis method of 2-methyl-3,4-binitro-5-(methoxyphenyl) pyrazole | DING YUQIN | 2016-01-20 | — | — | CN | claimed |
| CN-107739350-B | Method for synthesizing 2-aminothiazole derivative | 天津大学 | 2020-12-22 | — | — | CN | disclosed |
| CN-105646358-B | A kind of synthetic method of 3 amino 5 (4 anisyl) pyrazoles | 苏州艾缇克药物化学有限公司 | 2018-03-09 | — | — | CN | disclosed |
| CN-107739350-A | A kind of method for synthesizing 2 aminothiazole derivs | 天津大学 | 2018-02-27 | — | — | CN | disclosed |
| CN-105646358-A | Synthesizing method of 3-amino-5-(4-methoxyphenyl) pyrazole | 苏州艾缇克药物化学有限公司 | 2016-06-08 | — | — | CN | disclosed |
| CN-105646358-A | Synthesizing method of 3-amino-5-(4-methoxyphenyl) pyrazole | 苏州艾缇克药物化学有限公司 | 2016-06-08 | — | — | CN | disclosed |
| CN-105254564-A | Synthesis method of 2-methyl-3,4-binitro-5-(methoxyphenyl) pyrazole | DING YUQIN | 2016-01-20 | — | — | CN | disclosed |