Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | ACE | P12821 | 10/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | REN | P00797 | 3/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | F2 | P00734 | 1/20 | 0.39 |
| ▸ | LTA4H | P09960 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | PEPD | P12955 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 1/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.39 |
| ▸ | HRH1 | P35367 | 1/20 | 0.39 |
| ▸ | THPO | P40225 | 1/20 | 0.39 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.39 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL163401 | 0.90 | — | — | |
| SCHEMBL77336 | 0.90 | — | — | |
| SCHEMBL145545 | 0.90 | — | — | |
| Hydrochloric Acid SCHEMBL113877 | 0.88 | ACE (0.46) | LMNAHSD17B10CYP2C19ACECYP3A4 | |
| Bromide SCHEMBL6632312 | 0.88 | ACE (0.46) | LMNAHSD17B10CYP2C19ACECYP3A4 | |
| Water SCHEMBL1598131 | 0.88 | ACE (0.46) | LMNAHSD17B10CYP2C19ACECYP3A4 | |
| Water SCHEMBL1598128 | 0.88 | ACE (0.46) | LMNAHSD17B10CYP2C19ACECYP3A4 | |
| Hydrochloric Acid SCHEMBL113878 | 0.88 | ACE (0.46) | LMNAHSD17B10CYP2C19ACECYP3A4 | |
| Water SCHEMBL2694310 | 0.88 | ACE (0.46) | LMNAHSD17B10CYP2C19ACECYP3A4 | |
| Hydrochloric Acid SCHEMBL1721046 | 0.88 | ACE (0.46) | LMNAHSD17B10CYP2C19ACECYP3A4 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117603137-A | Method for chiral synthesis of (1R, 2S) -bedaquiline | 沈阳红旗制药有限公司 | 2024-02-27 | — | — | CN | claimed |
| CN-117603137-A | Method for chiral synthesis of (1R, 2S) -bedaquiline | 沈阳红旗制药有限公司 | 2024-02-27 | — | — | CN | disclosed |
| CN-117603137-A | Method for chiral synthesis of (1R, 2S) -bedaquiline | 沈阳红旗制药有限公司 | 2024-02-27 | — | — | CN | disclosed |