Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 3/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.32 |
| ▸ | MMP13 | P45452 | 4/20 | 0.32 |
| ▸ | HTT | P42858 | 2/20 | 0.32 |
| ▸ | MMP8 | P22894 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | LOX | P28300 | 2/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | MMP1 | P03956 | 3/20 | 0.30 |
| ▸ | MMP3 | P08254 | 1/20 | 0.30 |
| ▸ | RECQL | P46063 | 2/20 | 0.30 |
| ▸ | GLA | P06280 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL18034192 | 0.87 | CA2 (0.36) | ALDH1A1CYP3A4CYP2C9CYP2C19CA2 | |
| Water SCHEMBL7042206 | 0.85 | CA2 (0.35) | ALDH1A1CYP3A4CYP2C9CYP2C19CA2 | |
| SCHEMBL19844941 | 0.85 | ALDH1A1 (0.37) | ALDH1A1CYP3A4CYP2C9CYP2C19CA2 | |
| Potassium Ion SCHEMBL10604831 | 0.77 | PSIP1 (0.45) | THRBALDH1A1MMP13HTTMMP8 | |
| SCHEMBL29519802 | 0.77 | PSIP1 (0.45) | THRBALDH1A1MMP13HTTMMP8 | |
| SCHEMBL2949741 | 0.76 | GAA (0.48) | THRBALDH1A1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL8346158 | 0.76 | GAA (0.48) | THRBALDH1A1CYP3A4CYP2C9CYP2C19 | |
| Hydrochloric Acid SCHEMBL9357417 | 0.74 | CA2 (0.56) | ALDH1A1CYP3A4CYP2C9CYP2C19CA2 | |
| Sulfuric Acid SCHEMBL11204861 | 0.71 | — | — | |
| SCHEMBL1941777 | 0.69 | LMNA (0.37) | LMNA |
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-5932708-A | DYEING COTTON, CELLULOSE, POLYAMIDE, WOOL; HIGH COLOR INTENSITY, COLORFASTNESS | DYSTAR, L.P. (US) | 1999-08-03 | — | — | US | disclosed |