Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 2/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.50 |
| ▸ | ESR1 | P03372 | 9/20 | 0.40 |
| ▸ | ESR2 | Q92731 | 9/20 | 0.40 |
| ▸ | DAO | P14920 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 3/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.37 |
| ▸ | CA3 | P07451 | 1/20 | 0.37 |
| ▸ | CA6 | P23280 | 1/20 | 0.37 |
| ▸ | CA5A | P35218 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 1/20 | 0.37 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.37 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | TNF | P01375 | 1/20 | 0.34 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL911410 | 0.95 | CYP3A4 (0.55) | MAPK1CYP3A4ESR1ESR2DAO | |
| SCHEMBL15611127 | 0.78 | TRPA1 (0.41) | MAPK1CYP3A4ESR1ESR2DAO | |
| SCHEMBL31697168 | 0.78 | TRPA1 (0.41) | MAPK1CYP3A4ESR1ESR2DAO | |
| SCHEMBL7898297 | 0.78 | MAPK1 (0.42) | MAPK1CYP3A4ESR1ESR2DAO | |
| SCHEMBL9847889 | 0.78 | TNF (0.46) | MAPK1DAOTSHRCA3CA6 | |
| SCHEMBL68064 | 0.78 | CYP3A4 (0.75) | MAPK1CYP3A4ESR1ESR2TSHR | |
| SCHEMBL7743436 | 0.78 | CYP3A4 (0.75) | MAPK1CYP3A4ESR1ESR2TSHR | |
| SCHEMBL31392414 | 0.78 | CYP3A4 (0.75) | MAPK1CYP3A4ESR1ESR2TSHR | |
| SCHEMBL16555577 | 0.77 | CYP3A4 (0.40) | MAPK1CYP3A4ESR1ESR2DAO | |
| SCHEMBL30968537 | 0.77 | CYP3A4 (0.40) | MAPK1CYP3A4ESR1ESR2DAO |
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-105272966-A | Preparation method of ALK inhibitor crizotinib and analogue or salt thereof | NANJING LEIKEXING BIOTECHNOLOGY CO LTD | 2016-01-27 | — | — | CN | disclosed |
| CN-104058935-B | A kind of preparation method of (S)-1-(the chloro-3-fluorophenyl of 2,6-bis-) ethanol | ZHEJIANG ZHONGXIN CHEMICAL CO., LTD. (CN) | 2015-09-02 | — | — | CN | disclosed |