Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRB | P10828 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | TSHR | P16473 | 3/20 | 0.44 |
| ▸ | ACLY | P53396 | 2/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | HMGCR | P04035 | 1/20 | 0.30 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.30 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.30 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL8395910 | 0.80 | THRB (0.46) | THRBALDH1A1TSHRACLYCYP2D6 | |
| SCHEMBL14365547 | 0.80 | THRB (0.46) | THRBALDH1A1TSHRACLYCYP2D6 | |
| SCHEMBL508043 | 0.78 | THRB (0.56) | THRBALDH1A1TSHRACLYL3MBTL1 | |
| SCHEMBL10897817 | 0.78 | THRB (0.43) | THRBALDH1A1TSHRACLYCYP2D6 | |
| SCHEMBL5162047 | 0.78 | ALDH1A1 (0.50) | THRBALDH1A1TSHRACLYCYP2D6 | |
| SCHEMBL891464 | 0.78 | ALDH1A1 (0.50) | THRBALDH1A1TSHRACLYCYP2D6 | |
| SCHEMBL5162053 | 0.78 | ALDH1A1 (0.50) | THRBALDH1A1TSHRACLYCYP2D6 | |
| SCHEMBL8057710 | 0.75 | THRB (0.55) | THRBALDH1A1TSHRACLYCYP2D6 | |
| SCHEMBL5963798 | 0.75 | THRB (0.42) | THRBALDH1A1TSHRACLYCYP2D6 | |
| Fluoride SCHEMBL10957150 | 0.74 | THRB (0.53) | THRBALDH1A1TSHRACLYL3MBTL1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3717480-A1 | METHOD FOR PRODUCING (3S)-3-(4-CHLOR-3-{[(2S,3R)-2-(4-CHLORPHENYL)-4,4,4-TRIFLUOR-3-METHYLBUTANOYL]AMINO}PHENYL)-3-CYCLO-PROPYLPROPANOIC ACID AND THE CRYSTALLINE FORM THEREOF FOR USE AS A PHARMACEUTICAL INGREDIENT | Bayer Pharma Aktiengesellschaft (DE) | 2020-10-07 | — | — | EP | disclosed |
| EP-2649045-A2 | SUBSTITUTED 1-BENZYLCYCLOALKYLCARBOXLIC ACIDS AND USE THEREOF | Bayer Intellectual Property GmbH (DE) | 2013-10-16 | — | — | EP | disclosed |
| EP-2493845-A1 | SUBSTITUTED 3-PHENYLPROPIONIC ACIDS AND THE USE THEREOF | Bayer Pharma Aktiengesellschaft (DE) | 2012-09-05 | — | — | EP | disclosed |
| WO-2012076466-A2 | SUBSTITUTED 1-BENZYLCYCLOALKYLCARBOXLIC ACIDS AND USE THEREOF | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2012-06-14 | — | — | WO | disclosed |
| WO-2011051165-A1 | SUBSTITUTED 3-PHENYLPROPIONIC ACIDS AND THE USE THEREOF | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2011-05-05 | — | — | WO | disclosed |