Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRA | P10827 | 2/20 | 0.40 |
| ▸ | THRB | P10828 | 2/20 | 0.40 |
| ▸ | APP | P05067 | 4/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | HTR1A | P08908 | 2/20 | 0.36 |
| ▸ | HTR2C | P28335 | 2/20 | 0.36 |
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.36 |
| ▸ | HTR7 | P34969 | 1/20 | 0.36 |
| ▸ | HTR6 | P50406 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | ALOX5 | P09917 | 3/20 | 0.36 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.36 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.35 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL16610411 | 0.90 | APP (0.41) | THRATHRBAPPMEN1KMT2A | |
| SCHEMBL16610417 | 0.87 | KDM4E (0.48) | THRATHRBAPPMEN1KMT2A | |
| SCHEMBL16610416 | 0.84 | HTR1A (0.43) | APPMEN1KMT2AHTR1AHTR2C | |
| SCHEMBL16610407 | 0.79 | ALDH1A1 (0.39) | THRATHRBMEN1KMT2AKDM4E | |
| SCHEMBL16610334 | 0.75 | THRB (0.44) | THRATHRBAPPMEN1KMT2A | |
| SCHEMBL16610382 | 0.70 | GABBR2 (0.40) | APPCYP1A2CYP3A4ALOX5PTGES | |
| SCHEMBL9112337 | 0.70 | ABCG2 (0.56) | KDM4EALDH1A1CYP1A1CYP1B1SMN1; SMN2 | |
| SCHEMBL21133746 | 0.69 | CYP1A2 (0.42) | APPHTR1AHTR2CHTR2ASLC6A4 | |
| SCHEMBL16610335 | 0.69 | TRPV1 (0.47) | THRBAPPHTR1AHTR2CHTR2A | |
| SCHEMBL16610333 | 0.68 | APP (0.36) | THRATHRBAPPKDM4EALDH1A1 |
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 |