Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 2/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.53 |
| ▸ | GAA | P10253 | 1/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 2/20 | 0.40 |
| ▸ | CA1 | P00915 | 2/20 | 0.40 |
| ▸ | CA2 | P00918 | 2/20 | 0.40 |
| ▸ | CA9 | Q16790 | 2/20 | 0.40 |
| ▸ | MAOA | P21397 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.38 |
| ▸ | CTSK | P43235 | 4/20 | 0.37 |
| ▸ | CTSS | P25774 | 2/20 | 0.36 |
| ▸ | MALT1 | Q9UDY8 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL18175792 | 1.00 | MEN1 (0.53) | MEN1KMT2AGAATDP1CYP1A2 | |
| SCHEMBL14932468 | 1.00 | MEN1 (0.53) | MEN1KMT2AGAATDP1CYP1A2 | |
| SCHEMBL20578500 | 0.93 | MEN1 (0.63) | MEN1KMT2AGAATDP1CYP1A2 | |
| SCHEMBL26790537 | 0.89 | MEN1 (0.54) | MEN1KMT2AGAATDP1CYP1A2 | |
| SCHEMBL7442826 | 0.84 | MEN1 (0.44) | MEN1KMT2AGAATDP1CYP1A2 | |
| SCHEMBL28079376 | 0.83 | MEN1 (0.71) | MEN1KMT2AGAATDP1HTT | |
| SCHEMBL18760388 | 0.83 | MEN1 (0.53) | MEN1KMT2AGAATDP1CYP1A2 | |
| SCHEMBL8012876 | 0.81 | MEN1 (0.51) | MEN1KMT2AGAATDP1CYP1A2 | |
| SCHEMBL8017155 | 0.81 | MEN1 (0.51) | MEN1KMT2AGAATDP1CYP1A2 | |
| SCHEMBL24428751 | 0.79 | SYK (0.55) | MEN1KMT2AGAAHTTCTSK |
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-3256446-B1 | (2S,4R)-5-(5'-CHLORO-2'-FLUOROBIPHENYL-4-YL)-4-(ETHOXYOXALYLAMINO)-2-HYDROXYMETHYL-2-METHYLPENTANOIC ACID AS NEPRILYSIN INHIBITOR | THERAVANCE BIOPHARMA R&D IP LLC (US) | 2022-05-18 | — | — | EP | disclosed |