Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 | P31645 | 12/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 9/20 | 0.43 |
| ▸ | SLC6A3 | Q01959 | 7/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | HTR2A | P28223 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL29729780 | 0.82 | ALDH1A1 (0.57) | SLC6A4SLC6A2SLC6A3ALDH1A1TSHR | |
| SCHEMBL125255 | 0.82 | ALDH1A1 (0.57) | SLC6A4SLC6A2SLC6A3ALDH1A1TSHR | |
| SCHEMBL7647087 | 0.79 | SLC6A4 (0.43) | SLC6A4SLC6A2SLC6A3ALDH1A1TSHR | |
| SCHEMBL8677186 | 0.79 | SLC6A4 (0.43) | SLC6A4SLC6A2SLC6A3ALDH1A1TSHR | |
| Hydrochloric Acid SCHEMBL1326913 | 0.78 | SLC6A2 (0.42) | SLC6A4SLC6A2SLC6A3ALDH1A1TSHR | |
| SCHEMBL26686946 | 0.74 | TSHR (0.50) | SLC6A4SLC6A2SLC6A3ALDH1A1TSHR | |
| SCHEMBL12188870 | 0.73 | SLC6A4 (0.48) | SLC6A4SLC6A2SLC6A3ALDH1A1TSHR | |
| Alcohol SCHEMBL28875867 | 0.73 | SLC6A4 (0.53) | SLC6A4SLC6A2SLC6A3ALDH1A1TSHR | |
| SCHEMBL8680690 | 0.71 | SLC6A4 (0.53) | SLC6A4SLC6A2SLC6A3ALDH1A1TSHR | |
| Hydrochloric Acid SCHEMBL1428183 | 0.71 | SLC6A4 (0.47) | SLC6A4SLC6A2SLC6A3ALDH1A1TSHR |
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 |
|---|---|---|---|---|---|---|---|
| US-7022739-B2 | Substituted 1-aminobutan-3-ol compounds | GRUENENTHAL GMBH (DE) | 2006-04-04 | — | — | US | disclosed |