Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.39 |
| ▸ | TSHR | P16473 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | CASP2 | P42575 | 2/20 | 0.39 |
| ▸ | CA12 | O43570 | 4/20 | 0.37 |
| ▸ | CA2 | P00918 | 4/20 | 0.37 |
| ▸ | CA4 | P22748 | 4/20 | 0.37 |
| ▸ | CA6 | P23280 | 4/20 | 0.37 |
| ▸ | CA5A | P35218 | 4/20 | 0.37 |
| ▸ | CA7 | P43166 | 4/20 | 0.37 |
| ▸ | CA9 | Q16790 | 4/20 | 0.37 |
| ▸ | CA14 | Q9ULX7 | 4/20 | 0.37 |
| ▸ | CA5B | Q9Y2D0 | 4/20 | 0.37 |
| ▸ | CA3 | P07451 | 3/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | CA1 | P00915 | 2/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL8346751 | 0.98 | CYP2C19 (0.43) | CYP2C19CYP2C9TDP1TSHRALDH1A1 | |
| SCHEMBL20280258 | 0.94 | CYP2C19 (0.46) | CYP2C19CYP2C9TDP1TSHRALDH1A1 | |
| SCHEMBL18120963 | 0.90 | CYP2C19 (0.43) | CYP2C19CYP2C9TDP1TSHRALDH1A1 | |
| SCHEMBL11520416 | 0.89 | TSHR (0.50) | CYP2C19CYP2C9TDP1TSHRALDH1A1 | |
| SCHEMBL3453037 | 0.88 | CYP2C19 (0.54) | CYP2C19CYP2C9TDP1TSHRALDH1A1 | |
| SCHEMBL8009387 | 0.88 | TSHR (0.50) | CYP2C19CYP2C9TSHRALDH1A1CA12 | |
| SCHEMBL8345906 | 0.88 | TSHR (0.50) | CYP2C19CYP2C9TSHRALDH1A1CA12 | |
| SCHEMBL8047263 | 0.87 | ALDH1A1 (0.48) | CYP2C19CYP2C9TDP1TSHRALDH1A1 | |
| SCHEMBL11743886 | 0.87 | ALDH1A1 (0.48) | CYP2C19CYP2C9TDP1TSHRALDH1A1 | |
| SCHEMBL9322889 | 0.87 | ALDH1A1 (0.48) | CYP2C19CYP2C9TDP1TSHRALDH1A1 |
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-4048324-A | COPPER SALT OR HYDROXIDE, ALIPHATIC AMINE OR POLYAMINE | KOHN ARMAND | 1977-09-13 | — | — | US | disclosed |