Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 3/20 | 0.48 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.46 |
| ▸ | ALDH1A3 | P47895 | 2/20 | 0.46 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.46 |
| ▸ | TYR | P14679 | 1/20 | 0.44 |
| ▸ | APP | P05067 | 3/20 | 0.40 |
| ▸ | ALDH5A1 | P51649 | 1/20 | 0.39 |
| ▸ | ABAT | P80404 | 1/20 | 0.39 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.38 |
| ▸ | RELA | Q04206 | 1/20 | 0.37 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | CASP1 | P29466 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | HBB | P68871 | 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 | |
|---|---|---|---|---|
| SCHEMBL5168126 | 0.94 | CYP2A6 (0.54) | CYP2A6CYP2A13ALDH1A1ALDH1A3ALDH3A1 | |
| SCHEMBL7716099 | 0.90 | APP (0.47) | ALDH1A1APPHSD17B3RELAPTGS1 | |
| SCHEMBL3040464 | 0.82 | ALDH1A1 (0.52) | ALDH1A1ALDH1A3ALDH3A1KDM4EMEN1 | |
| SCHEMBL11699062 | 0.80 | CYP2A6 (0.43) | CYP2A6CYP2A13ALDH1A1ALDH1A3ALDH3A1 | |
| SCHEMBL8422913 | 0.78 | PTGS2 (0.51) | APPPTGS1KDM4EMEN1NPC1 | |
| SCHEMBL11002110 | 0.78 | CYP2A6 (0.58) | CYP2A6CYP2A13ALDH1A1ALDH1A3ALDH3A1 | |
| SCHEMBL1568079 | 0.77 | CYP2A6 (0.57) | CYP2A6CYP2A13ALDH1A1ALDH1A3ALDH3A1 | |
| SCHEMBL3040519 | 0.76 | APP (0.66) | ALDH1A1APPHSD17B3RELAPTGS1 | |
| SCHEMBL7030860 | 0.74 | ALDH1A1 (0.55) | CYP2A6CYP2A13ALDH1A1ALDH1A3ALDH3A1 | |
| SCHEMBL2013092 | 0.74 | CYP2A6 (0.86) | CYP2A6CYP2A13ALDH1A1ALDH1A3ALDH3A1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5688896-A | Non-linear optically active polycarbonate | AKZO NOBEL N.V. (NL) | 1997-11-18 | — | — | US | disclosed |
| US-5588083-A | Non-linear optically active polycarbonate | AKZO NOBEL N.V. (NL) | 1996-12-24 | — | — | US | disclosed |
| EP-0645413-A1 | Non-linear optically active polycarbonate | Akzo Nobel N.V. (NL) | 1995-03-29 | — | — | EP | disclosed |