Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 8/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.55 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.55 |
| ▸ | HPGD | P15428 | 4/20 | 0.55 |
| ▸ | HTR1A | P08908 | 1/20 | 0.55 |
| ▸ | HTR2C | P28335 | 1/20 | 0.55 |
| ▸ | PKM | P14618 | 2/20 | 0.51 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.51 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.51 |
| ▸ | CA12 | O43570 | 2/20 | 0.48 |
| ▸ | CA1 | P00915 | 2/20 | 0.48 |
| ▸ | CA2 | P00918 | 2/20 | 0.48 |
| ▸ | CA3 | P07451 | 2/20 | 0.48 |
| ▸ | CA4 | P22748 | 2/20 | 0.48 |
| ▸ | CA6 | P23280 | 2/20 | 0.48 |
| ▸ | CA5A | P35218 | 2/20 | 0.48 |
| ▸ | CA7 | P43166 | 2/20 | 0.48 |
| ▸ | CA9 | Q16790 | 2/20 | 0.48 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.48 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL16048498 | 0.91 | KDM4E (0.61) | KDM4EALDH1A1HSD17B10HPGDHTR1A | |
| SCHEMBL16048499 | 0.91 | KDM4E (0.61) | KDM4EALDH1A1HSD17B10HPGDHTR1A | |
| SCHEMBL16610368 | 0.86 | KDM4E (0.72) | KDM4EALDH1A1HSD17B10HPGDHTR1A | |
| SCHEMBL16610422 | 0.85 | THRB (0.46) | KDM4EALDH1A1HSD17B10HPGDHTR1A | |
| SCHEMBL20600978 | 0.85 | KDM4E (0.69) | KDM4EALDH1A1HSD17B10HPGDHTR1A | |
| SCHEMBL21852876 | 0.85 | KDM4E (0.69) | KDM4EALDH1A1HSD17B10HPGDHTR1A | |
| SCHEMBL16610334 | 0.82 | THRB (0.44) | KDM4EALDH1A1HSD17B10HPGDHTR1A | |
| SCHEMBL16610370 | 0.80 | ALDH1A1 (0.45) | KDM4EALDH1A1HPGDPTGS2CA1 | |
| SCHEMBL16610371 | 0.80 | ALDH1A1 (0.60) | KDM4EALDH1A1HSD17B10HPGDAPP | |
| SCHEMBL16610410 | 0.79 | TRPV1 (0.57) | KDM4EALDH1A1HTR1AHTR2CPKM |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2015043522-A1 | TRIFLUOROMETHYL-CONTAINING AMIDE ALKALOID, MANUFACTURING METHOD AND PHARMACEUTICAL USE THEREOF | 天士力制药集团股份有限公司 | 2015-04-02 | — | — | WO | disclosed |