Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL1414529 | 0.73 | CYP1A2 (0.42) | CYP1A2CYP3A4CYP2D6MAPK1CYP2C19 | |
| SCHEMBL29352673 | 0.69 | CYP1A2 (0.73) | CYP1A2CYP3A4CYP2D6MAPK1CYP2C19 | |
| SCHEMBL54175 | 0.69 | CYP1A2 (0.73) | CYP1A2CYP3A4CYP2D6MAPK1CYP2C19 | |
| SCHEMBL8887013 | 0.69 | CYP1A2 (0.73) | CYP1A2CYP3A4CYP2D6MAPK1CYP2C19 | |
| Thiocyanic Acid SCHEMBL8734334 | 0.66 | CYP1A2 (0.67) | CYP1A2CYP3A4CYP2D6MAPK1CYP2C19 | |
| Urea SCHEMBL28131099 | 0.63 | CYP1A2 (0.61) | CYP1A2CYP3A4CYP2D6MAPK1CYP2C19 | |
| 2-Mercaptobenzothiazole SCHEMBL8153954 | 0.63 | CYP1A2 (0.61) | CYP1A2CYP3A4CYP2D6MAPK1CYP2C19 | |
| SCHEMBL7624765 | 0.63 | ALDH1A1 (0.30) | MAPK1HIF1A | |
| SCHEMBL9058700 | 0.62 | KMT2A (0.56) | MAPK1HIF1A | |
| SCHEMBL960749 | 0.62 | SMN1; SMN2 (0.36) | CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0593250-B1 | Synergistic antimicrobial combination of polyether phosphonates and non-oxidizing biocides | CALGON CORP (US) | 1998-12-02 | — | — | EP | claimed |
| EP-0593250-A1 | Synergistic antimicrobial combination of polyether phosphonates and non-oxidizing biocides | Calgon Corporation (US) | 1994-04-20 | — | — | EP | disclosed |