Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A3 | Q01959 | 8/20 | 0.45 |
| ▸ | SLC6A2 | P23975 | 4/20 | 0.45 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.45 |
| ▸ | DHFR | P00374 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL7423286 | 0.98 | SLC6A3 (0.44) | SLC6A3SLC6A2SLC6A4ALDH1A1LMNA | |
| Hydrochloric Acid SCHEMBL27963669 | 0.93 | SLC6A2 (0.39) | SLC6A3SLC6A2SLC6A4ALDH1A1LMNA | |
| SCHEMBL27861451 | 0.81 | SLC6A3 (0.40) | SLC6A3SLC6A2SLC6A4DHFRALDH1A1 | |
| SCHEMBL27789463 | 0.81 | SLC6A3 (0.44) | SLC6A3SLC6A2SLC6A4DHFRALDH1A1 | |
| SCHEMBL15705099 | 0.78 | SLC6A3 (0.42) | SLC6A3SLC6A2SLC6A4DHFRALDH1A1 | |
| SCHEMBL28521442 | 0.78 | TSHR (0.37) | SLC6A3SLC6A2SLC6A4DHFRALDH1A1 | |
| SCHEMBL3433414 | 0.76 | SLC6A3 (0.37) | SLC6A3SLC6A2SLC6A4DHFRALDH1A1 | |
| SCHEMBL4461978 | 0.75 | SLC6A3 (0.43) | SLC6A3SLC6A2SLC6A4DHFRALDH1A1 | |
| SCHEMBL8709229 | 0.75 | ALDH1A1 (0.44) | SLC6A3SLC6A2SLC6A4DHFRALDH1A1 | |
| SCHEMBL6446438 | 0.75 | ALDH1A1 (0.44) | SLC6A3SLC6A2SLC6A4DHFRALDH1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1198823-C | Phenyl substituted 4-hydroxy tetrahydropyridone | BAYER AG (DE) | 2005-04-27 | — | — | CN | disclosed |
| CN-1425013-A | Phenyl-substituted 4-hydroxy-tetrahydropyridones | BAYER AG (DE) | 2003-06-18 | — | — | CN | disclosed |