Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.73 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.73 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.47 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.47 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 5/20 | 0.44 |
| ▸ | MEN1 | O00255 | 4/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | CASP1 | P29466 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | HBB | P68871 | 1/20 | 0.44 |
| ▸ | APP | P05067 | 4/20 | 0.44 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.43 |
| ▸ | RELA | Q04206 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | CRHBP | P24387 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL9754339 | 1.00 | CYP2A6 (0.73) | CYP2A6CYP2A13ALDH1A1ALDH3A1ALDH1A3 | |
| SCHEMBL61517 | 0.85 | CYP2A6 (1.00) | CYP2A6CYP2A13ALDH1A1ALDH3A1ALDH1A3 | |
| SCHEMBL29141829 | 0.85 | CYP2A6 (0.52) | CYP2A6CYP2A13ALDH1A1ALDH3A1ALDH1A3 | |
| Hydrochloric Acid SCHEMBL6593779 | 0.83 | CYP2A6 (0.95) | CYP2A6CYP2A13ALDH1A1ALDH3A1ALDH1A3 | |
| Water SCHEMBL28553448 | 0.83 | CYP2A6 (0.95) | CYP2A6CYP2A13ALDH1A1ALDH3A1ALDH1A3 | |
| SCHEMBL28322492 | 0.83 | CYP2A6 (0.95) | CYP2A6CYP2A13ALDH1A1ALDH3A1ALDH1A3 | |
| Methyl Alcohol SCHEMBL11054490 | 0.81 | CYP2A6 (0.91) | CYP2A6CYP2A13ALDH1A1ALDH3A1ALDH1A3 | |
| Hydrochloric Acid SCHEMBL20657879 | 0.81 | CYP2A6 (0.91) | CYP2A6CYP2A13ALDH1A1ALDH3A1ALDH1A3 | |
| SCHEMBL2013092 | 0.79 | CYP2A6 (0.86) | CYP2A6CYP2A13ALDH1A1ALDH3A1ALDH1A3 | |
| SCHEMBL21738372 | 0.79 | CYP2A6 (0.86) | CYP2A6CYP2A13ALDH1A1ALDH3A1ALDH1A3 |
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 |
|---|---|---|---|---|---|---|---|
| WO-1991016329-A1 | ORGANOSILICIFIED COMPOUNDS AND MATERIALS AND DEVICES CONTAINING SAME | RHONE-POULENC CHIMIE (FR) | 1991-10-31 | — | — | WO | disclosed |