Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FFAR1 | O14842 | 7/20 | 0.35 |
| ▸ | CNR1 | P21554 | 2/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.31 |
| ▸ | DPP4 | P27487 | 1/20 | 0.30 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.30 |
| ▸ | LTC4S | Q16873 | 1/20 | 0.30 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.30 |
| ▸ | ATM | Q13315 | 1/20 | 0.30 |
| ▸ | CACNA1B | Q00975 | 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 | |
|---|---|---|---|---|
| SCHEMBL13278671 | 0.85 | SLC6A3 (0.37) | FFAR1 | |
| SCHEMBL30207003 | 0.85 | SLC6A3 (0.37) | FFAR1 | |
| SCHEMBL22491768 | 0.85 | SLC6A3 (0.37) | FFAR1 | |
| SCHEMBL29743253 | 0.83 | KMT2A (0.38) | FFAR1CNR1 | |
| SCHEMBL13471794 | 0.83 | KMT2A (0.38) | FFAR1CNR1 | |
| SCHEMBL23509595 | 0.83 | KMT2A (0.38) | FFAR1CNR1 | |
| SCHEMBL29572304 | 0.83 | KMT2A (0.38) | FFAR1CNR1 | |
| SCHEMBL28431700 | 0.83 | KMT2A (0.38) | FFAR1CNR1 | |
| SCHEMBL13471811 | 0.81 | SLC6A3 (0.39) | CNR1 | |
| SCHEMBL29743257 | 0.81 | SLC6A3 (0.39) | CNR1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-111433204-A | Process for the preparation of (3S) -3- (4-chloro-3- { [ (2S,3R) -2- (4-chlorophenyl) -4,4, 4-trifluoro-3-methylbutyryl ] amino } phenyl) -3-cyclopropylpropionic acid and crystalline forms thereof for use as a pharmaceutically active substance | 拜耳制药股份公司 | 2020-07-17 | — | — | CN | disclosed |