Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.83 |
| ▸ | CA2 | P00918 | 1/20 | 0.83 |
| ▸ | THRB | P10828 | 3/20 | 0.70 |
| ▸ | CYP3A4 | P08684 | 7/20 | 0.50 |
| ▸ | TSHR | P16473 | 5/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 7/20 | 0.48 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 4/20 | 0.44 |
| ▸ | RECQL | P46063 | 3/20 | 0.44 |
| ▸ | HPGD | P15428 | 3/20 | 0.44 |
| ▸ | CASP1 | P29466 | 3/20 | 0.44 |
| ▸ | LCK | P06239 | 1/20 | 0.42 |
| ▸ | SRC | P12931 | 1/20 | 0.42 |
| ▸ | PRKACA | P17612 | 1/20 | 0.42 |
| ▸ | PRKACG | P22612 | 1/20 | 0.42 |
| ▸ | PRKACB | P22694 | 1/20 | 0.42 |
| ▸ | TTR | P02766 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL94042 | 0.91 | — | — | |
| Ammonia Solution, Strong SCHEMBL5009699 | 0.89 | CA2 (0.95) | CA1CA2THRBCYP3A4TSHR | |
| Hydrochloric Acid SCHEMBL6653408 | 0.89 | CA1 (0.95) | CA1CA2THRBCYP3A4TSHR | |
| Hydrochloric Acid SCHEMBL5422224 | 0.89 | CA1 (0.95) | CA1CA2THRBCYP3A4TSHR | |
| SCHEMBL27271816 | 0.89 | CA2 (0.95) | CA1CA2THRBCYP3A4TSHR | |
| SCHEMBL93999 | 0.83 | THRB (1.00) | CA1CA2THRBCYP3A4TSHR | |
| 4-Aminophenol SCHEMBL11828251 | 0.83 | CA1 (0.83) | CA1CA2THRBCYP3A4TSHR | |
| SCHEMBL5271617 | 0.81 | THRB (0.94) | CA1CA2THRBCYP3A4TSHR | |
| SCHEMBL9453347 | 0.81 | THRB (0.94) | CA1CA2THRBCYP3A4TSHR | |
| Hydrochloric Acid SCHEMBL7755405 | 0.81 | THRB (0.94) | CA1CA2THRBCYP3A4TSHR |
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 |
|---|---|---|---|---|---|---|---|
| EP-1309540-B1 | OXIDIZING COLORANT | HENKEL KGAA (DE) | 2005-11-02 | — | — | EP | claimed |