Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 4/20 | 0.67 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.67 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.67 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.67 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.67 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.67 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.67 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.52 |
| ▸ | STAT6 | P42226 | 1/20 | 0.52 |
| ▸ | POLB | P06746 | 3/20 | 0.51 |
| ▸ | APEX1 | P27695 | 1/20 | 0.51 |
| ▸ | RECQL | P46063 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.50 |
| ▸ | HPGD | P15428 | 3/20 | 0.50 |
| ▸ | RAB9A | P51151 | 3/20 | 0.50 |
| ▸ | FBP1 | P09467 | 2/20 | 0.50 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.50 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.50 |
| ▸ | DRD2 | P14416 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL54175 | 0.96 | CYP1A2 (0.73) | CYP1A2CYP2D6CYP2C19CYP3A4L3MBTL1 | |
| SCHEMBL29352673 | 0.96 | CYP1A2 (0.73) | CYP1A2CYP2D6CYP2C19CYP3A4L3MBTL1 | |
| SCHEMBL8887013 | 0.96 | CYP1A2 (0.73) | CYP1A2CYP2D6CYP2C19CYP3A4L3MBTL1 | |
| 2-Mercaptobenzothiazole SCHEMBL8153954 | 0.91 | CYP1A2 (0.61) | CYP1A2CYP2D6CYP2C19CYP3A4L3MBTL1 | |
| Dimethylamine SCHEMBL8652976 | 0.90 | CYP1A2 (0.65) | CYP1A2CYP2D6CYP2C19CYP3A4L3MBTL1 | |
| Urea SCHEMBL28131099 | 0.88 | CYP1A2 (0.61) | CYP1A2CYP2D6CYP2C19CYP3A4L3MBTL1 | |
| Di(Hydroxyethyl)Ether SCHEMBL9867190 | 0.84 | CYP1A2 (0.57) | CYP1A2CYP2D6CYP2C19CYP3A4L3MBTL1 | |
| Glutaral SCHEMBL9224584 | 0.84 | CYP1A2 (0.57) | CYP1A2CYP2D6CYP2C19CYP3A4L3MBTL1 | |
| SCHEMBL4564792 | 0.83 | CYP1A2 (0.56) | CYP1A2CYP2D6CYP2C19CYP3A4L3MBTL1 | |
| SCHEMBL7198792 | 0.82 | CYP1A2 (0.76) | CYP1A2CYP2D6CYP2C19CYP3A4L3MBTL1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0593250-B1 | Synergistic antimicrobial combination of polyether phosphonates and non-oxidizing biocides | CALGON CORP (US) | 1998-12-02 | — | — | EP | claimed |