Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.39 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | TNF | P01375 | 1/20 | 0.35 |
| ▸ | KLF5 | Q13887 | 1/20 | 0.35 |
| ▸ | NOD1 | Q9Y239 | 1/20 | 0.35 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.35 |
| ▸ | CHRM2 | P08172 | 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 | |
|---|---|---|---|---|
| SCHEMBL5163394 | 0.78 | ALDH1A1 (0.47) | CA12CA1CA2CA9CA14 | |
| SCHEMBL6924512 | 0.74 | CYP2C9 (0.51) | CYP1A2CYP2D6CYP2C19CA12CA1 | |
| SCHEMBL6924319 | 0.73 | CYP2C9 (0.42) | CYP1A2CYP2D6CYP2C19CA12CA1 | |
| SCHEMBL14666430 | 0.72 | CA1 (0.47) | CYP1A2CYP2D6CYP2C19CA12CA1 | |
| Hydrogen Peroxide SCHEMBL28425777 | 0.71 | TDP1 (0.64) | CYP1A2CYP2D6CYP2C19CA12CA1 | |
| SCHEMBL29199324 | 0.71 | TDP1 (0.64) | CYP1A2CYP2D6CYP2C19CA12CA1 | |
| SCHEMBL260960 | 0.71 | TDP1 (0.64) | CYP1A2CYP2D6CYP2C19CA12CA1 | |
| Hydrogen Peroxide SCHEMBL28474133 | 0.71 | TDP1 (0.64) | CYP1A2CYP2D6CYP2C19CA12CA1 | |
| Hydrochloric Acid SCHEMBL23276979 | 0.69 | TDP1 (0.62) | CYP1A2CYP2D6CYP2C19CA12CA1 | |
| SCHEMBL19895794 | 0.69 | TDP1 (0.62) | CYP1A2CYP2D6CYP2C19CA12CA1 |
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 |
|---|---|---|---|---|---|---|---|
| US-6515011-B2 | Anticoagulants | MERCK & CO., INC. | 2003-02-04 | — | — | US | disclosed |