Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACE | P12821 | 3/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA7 | P43166 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.38 |
| ▸ | MME | P08473 | 4/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | ECE1 | P42892 | 1/20 | 0.38 |
| ▸ | BLM | P54132 | 1/20 | 0.38 |
| ▸ | NPEPPS | P55786 | 1/20 | 0.38 |
| ▸ | MMP8 | P22894 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL6425521 | 0.79 | TRPA1 (0.43) | ALDH1A1MEN1KMT2AHPGDMAPK1 | |
| SCHEMBL6153824 | 0.79 | TRPA1 (0.43) | ALDH1A1MEN1KMT2AHPGDMAPK1 | |
| SCHEMBL6154333 | 0.79 | TRPA1 (0.43) | ALDH1A1MEN1KMT2AHPGDMAPK1 | |
| SCHEMBL6154154 | 0.77 | ALDH1A1 (0.46) | CA12CA2CA7CA9CA14 | |
| SCHEMBL6154318 | 0.77 | ALDH1A1 (0.46) | CA12CA2CA7CA9CA14 | |
| SCHEMBL6153593 | 0.77 | ALDH1A1 (0.46) | CA12CA2CA7CA9CA14 | |
| SCHEMBL19281761 | 0.76 | MME (0.60) | ACEMMEALDH1A1MEN1KMT2A | |
| SCHEMBL28526383 | 0.76 | MME (0.55) | ACEMMEALDH1A1MEN1KMT2A | |
| SCHEMBL6154118 | 0.73 | CYP1A2 (0.59) | MME | |
| SCHEMBL6427020 | 0.73 | CYP1A2 (0.59) | MME |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017158615-A1 | AN IMPROVED PROCESS FOR THE PREPARATION OF [[2(S)-[[4(R)-(3-HYDROXY PHENYL)-3(R), 4-DIMETHYL-1 -PIPERIDINYL]METHYL]-1 -OXO-3-PHENYLPROPYL] AMINO]ACETIC ACID DIHYDRATE | MSN LABORATORIES PRIVATE LIMITED (IN) | 2017-09-21 | — | — | WO | disclosed |