Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.30 |
| ▸ | PYCR1 | P32322 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL3087798 | 0.74 | ALDH1A1 (0.48) | CYP2A6ALDH1A1ALOX15TDP1 | |
| SCHEMBL3091397 | 0.74 | CYP2A6 (0.42) | CYP2A6ALDH1A1ALOX15MAPK1TDP1 | |
| SCHEMBL3094965 | 0.74 | LMNA (0.42) | CYP2A6ALDH1A1ALOX15TDP1 | |
| SCHEMBL2858411 | 0.72 | ALDH1A1 (0.39) | ALDH1A1ALOX15TDP1 | |
| SCHEMBL23714869 | 0.67 | CYP2A6 (0.57) | CYP2A6ALDH1A1ALOX15MAPK1TDP1 | |
| SCHEMBL67004 | 0.67 | CYP2A6 (0.57) | CYP2A6ALDH1A1ALOX15MAPK1TDP1 | |
| Isothiocyanate SCHEMBL6153420 | 0.67 | CYP2A6 (0.57) | CYP2A6ALDH1A1ALOX15MAPK1TDP1 | |
| SCHEMBL22502466 | 0.65 | CYP2A6 (0.53) | CYP2A6ALDH1A1ALOX15MAPK1TDP1 | |
| Fluoride SCHEMBL31365993 | 0.65 | CYP2A6 (0.53) | CYP2A6ALDH1A1ALOX15MAPK1TDP1 | |
| SCHEMBL18508 | 0.65 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20100233415-A1 | OPTICAL RECORDING MEDIUM AND AZO METAL CHELATE COMPOUND | MITSUI CHEMICALS, INC. (JP) | 2010-09-16 | — | — | US | disclosed |
| EP-1997856-A1 | OPTICAL RECORDING MEDIUM AND AZO METAL CHELATE COMPOUND | Mitsui Chemicals, Inc. (JP) | 2008-12-03 | — | — | EP | disclosed |