Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | CETP | P11597 | 3/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | HTR2C | P28335 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | SLC10A2 | Q12908 | 1/20 | 0.36 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.36 |
| ▸ | CTSL | P07711 | 1/20 | 0.35 |
| ▸ | CTSS | P25774 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL4868091 | 0.90 | CYP3A4 (0.41) | ALDH1A1MAPK1CYP3A4TDP1L3MBTL1 | |
| SCHEMBL6237219 | 0.80 | ALDH1A1 (0.44) | ALDH1A1MAPK1CYP3A4TDP1L3MBTL1 | |
| SCHEMBL4863360 | 0.74 | ALDH1A1 (0.46) | ALDH1A1MAPK1TDP1L3MBTL1SLC6A2 | |
| SCHEMBL6233007 | 0.74 | ALDH1A1 (0.46) | ALDH1A1MAPK1TDP1L3MBTL1HTR2C | |
| SCHEMBL4864688 | 0.73 | ALDH1A1 (0.45) | ALDH1A1MAPK1TDP1L3MBTL1SLC6A2 | |
| SCHEMBL4868005 | 0.73 | ALDH1A1 (0.45) | ALDH1A1MAPK1TDP1L3MBTL1SLC6A2 | |
| SCHEMBL4864213 | 0.72 | CETP (0.38) | ALDH1A1MAPK1CYP3A4TDP1L3MBTL1 | |
| SCHEMBL4864220 | 0.72 | CETP (0.38) | ALDH1A1MAPK1CYP3A4TDP1L3MBTL1 | |
| SCHEMBL4866262 | 0.72 | EPHX2 (0.40) | ALDH1A1MAPK1CYP3A4TDP1L3MBTL1 | |
| SCHEMBL6235897 | 0.72 | SLC1A2 (0.43) | ALDH1A1MAPK1CYP3A4TDP1L3MBTL1 |
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-2005005456-A2 | PEPTIDE DEFORMYLASE INHIBITORS | GLAXO GROUP LIMITED (GB) | 2005-01-20 | — | — | WO | disclosed |