Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.43 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | ESR1 | P03372 | 2/20 | 0.41 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.41 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.38 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.38 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.38 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL10494089 | 0.82 | ALDH1A1 (0.42) | ALDH1A1TSHRCYP2C19HIF1ATAAR1 | |
| SCHEMBL25451215 | 0.79 | ACHE (0.49) | ALDH1A1ALOX15ESR1ESR2MAPT | |
| SCHEMBL3627861 | 0.78 | ALDH1A1 (0.48) | ALDH1A1TSHRCYP2C19HIF1ATAAR1 | |
| SCHEMBL17885859 | 0.78 | ALDH1A1 (0.48) | ALDH1A1TSHRCYP2C19HIF1ATAAR1 | |
| SCHEMBL28318280 | 0.77 | MEN1 (0.52) | TSHRCYP2C19HIF1AMAPK1KMT2A | |
| SCHEMBL5012067 | 0.77 | TSHR (0.52) | ALDH1A1TSHRCYP2C19HIF1ATAAR1 | |
| SCHEMBL17885867 | 0.76 | ALDH1A1 (0.46) | ALDH1A1TSHRCYP2C19HIF1ATAAR1 | |
| SCHEMBL8528106 | 0.76 | ALDH1A1 (0.46) | ALDH1A1TSHRCYP2C19HIF1ATAAR1 | |
| SCHEMBL23555497 | 0.76 | LPL (0.39) | ALDH1A1CYP2C19TAAR1ESR1ESR2 | |
| SCHEMBL20327636 | 0.76 | CA1 (0.46) | ALDH1A1TAAR1MAPK1MAPTKMT2A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101180263-B | Process for preparing substituted tetrafluorobenzylaniline compounds and pharmaceutically acceptable salts thereof | CHOONGWAE PHARMA CORP | 2011-11-02 | — | — | CN | disclosed |
| CN-101180263-A | Process for preparing substituted tetrafluorobenzylaniline compounds and pharmaceutically acceptable salts thereof | CHOONGWAE PHARMA CORP (KR) | 2008-05-14 | — | — | CN | disclosed |
| EP-0122452-A1 | Triazolyl- and imidazolyl-substituted fluoroalkane derivatives, process for their preparation and pharmaceutical compositions containing them | SCHERING CORPORATION (US) | 1984-10-24 | — | — | EP | disclosed |