Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.36 |
| ▸ | ADH1B | P00325 | 1/20 | 0.36 |
| ▸ | ADH1C | P00326 | 1/20 | 0.36 |
| ▸ | ADH1A | P07327 | 1/20 | 0.36 |
| ▸ | ADH4 | P08319 | 1/20 | 0.36 |
| ▸ | ADH7 | P40394 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 3/20 | 0.34 |
| ▸ | ZDHHC7 | Q9NXF8 | 1/20 | 0.34 |
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | CA7 | P43166 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.34 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL11672916 | 0.88 | TP53 (0.41) | TP53ADH1BADH1CADH1AADH4 | |
| SCHEMBL10818828 | 0.86 | TP53 (0.40) | MEN1KMT2ATSHRTP53ADH1B | |
| SCHEMBL10695423 | 0.83 | TP53 (0.37) | MAPTTP53ADH1BADH1CADH1A | |
| SCHEMBL16328747 | 0.78 | TSHR (0.38) | MEN1THRBHTTKMT2AMAPT | |
| SCHEMBL6758646 | 0.77 | MEN1 (0.53) | MEN1THRBHTTKMT2AMAPT | |
| SCHEMBL21790559 | 0.76 | TSHR (0.43) | MEN1THRBHTTKMT2AMAPT | |
| SCHEMBL21168396 | 0.75 | MEN1 (0.53) | MEN1THRBHTTKMT2AMAPT | |
| SCHEMBL8174867 | 0.74 | PLA2G2C (0.39) | MEN1THRBHTTKMT2AMAPT | |
| SCHEMBL12321730 | 0.74 | MEN1 (0.56) | MEN1THRBHTTKMT2AMAPT | |
| SCHEMBL1619512 | 0.73 | LMNA (0.50) | MEN1KMT2ATSHRTP53ADH1B |
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-0180309-A1 | Improved disinfecting and preserving solutions for contact lenses and methods of use | BAUSCH & LOMB INCORPORATED (US) | 1986-05-07 | — | — | EP | disclosed |
| US-4354952-A | Contact lens disinfecting and preserving solution comprising chlorhexidine and salts thereof | BAUSCH & LOMB INCORPORATED (US) | 1982-10-19 | — | — | US | disclosed |