Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.48 |
| ▸ | HPGD | P15428 | 2/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.48 |
| ▸ | HTR1A | P08908 | 1/20 | 0.48 |
| ▸ | HTR2C | P28335 | 1/20 | 0.48 |
| ▸ | PKM | P14618 | 2/20 | 0.44 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.44 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.44 |
| ▸ | APP | P05067 | 7/20 | 0.44 |
| ▸ | THRA | P10827 | 1/20 | 0.43 |
| ▸ | THRB | P10828 | 1/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | IP6K1 | Q92551 | 1/20 | 0.40 |
| ▸ | IP6K3 | Q96PC2 | 1/20 | 0.40 |
| ▸ | IP6K2 | Q9UHH9 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL16610368 | 0.80 | KDM4E (0.72) | KDM4EALDH1A1HPGDHSD17B10HTR1A | |
| SCHEMBL16048499 | 0.79 | KDM4E (0.61) | KDM4EALDH1A1HPGDHSD17B10HTR1A | |
| SCHEMBL16048498 | 0.79 | KDM4E (0.61) | KDM4EALDH1A1HPGDHSD17B10HTR1A | |
| SCHEMBL16610424 | 0.79 | KIF11 (0.36) | ALDH1A1APP | |
| SCHEMBL28012612 | 0.78 | TRPV1 (0.50) | KDM4EALDH1A1HPGDHTR1AHTR2C | |
| SCHEMBL16610365 | 0.78 | TRPV1 (0.50) | KDM4EALDH1A1HPGDHTR1AHTR2C | |
| SCHEMBL16610412 | 0.78 | KDM4E (0.46) | KDM4EALDH1A1HPGDHSD17B10HTR1A | |
| SCHEMBL16610372 | 0.74 | KDM4E (0.55) | KDM4EALDH1A1HPGDHSD17B10HTR1A | |
| SCHEMBL16610417 | 0.74 | KDM4E (0.48) | KDM4EALDH1A1HPGDHSD17B10HTR1A | |
| SCHEMBL22555972 | 0.74 | APP (0.76) | KDM4EALDH1A1HPGDHSD17B10PKM |
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 |