Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | ESR1 | P03372 | 1/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 10/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 8/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 8/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | CNR1 | P21554 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL23509591 | 0.99 | L3MBTL1 (0.40) | L3MBTL1ALDH1A1TDP1ESR1SLC6A3 | |
| SCHEMBL29802478 | 0.99 | L3MBTL1 (0.40) | L3MBTL1ALDH1A1TDP1ESR1SLC6A3 | |
| SCHEMBL15533854 | 0.83 | ALDH1A1 (0.44) | L3MBTL1ALDH1A1TDP1ESR1NPC1 | |
| SCHEMBL15534311 | 0.83 | ALDH1A1 (0.44) | L3MBTL1ALDH1A1TDP1ESR1NPC1 | |
| SCHEMBL23509596 | 0.80 | FFAR1 (0.38) | ALDH1A1SLC6A3SLC6A2SLC6A4HPGD | |
| SCHEMBL13278671 | 0.80 | SLC6A3 (0.37) | SLC6A3SLC6A2SLC6A4NPC1RAB9A | |
| SCHEMBL30207003 | 0.80 | SLC6A3 (0.37) | SLC6A3SLC6A2SLC6A4NPC1RAB9A | |
| SCHEMBL22491768 | 0.80 | SLC6A3 (0.37) | SLC6A3SLC6A2SLC6A4NPC1RAB9A | |
| SCHEMBL22491762 | 0.77 | FFAR1 (0.55) | ALDH1A1SLC6A3SLC6A2SLC6A4SMN1; SMN2 | |
| SCHEMBL14797824 | 0.77 | FFAR1 (0.55) | ALDH1A1SLC6A3SLC6A2SLC6A4SMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| 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 |