Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 4/20 | 0.37 |
| ▸ | CA2 | P00918 | 4/20 | 0.37 |
| ▸ | RELA | Q04206 | 4/20 | 0.36 |
| ▸ | S1PR2 | O95136 | 5/20 | 0.36 |
| ▸ | S1PR4 | O95977 | 5/20 | 0.36 |
| ▸ | S1PR1 | P21453 | 5/20 | 0.36 |
| ▸ | S1PR3 | Q99500 | 5/20 | 0.36 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.36 |
| ▸ | ADH1B | P00325 | 1/20 | 0.35 |
| ▸ | ADH1C | P00326 | 1/20 | 0.35 |
| ▸ | ADH1A | P07327 | 1/20 | 0.35 |
| ▸ | ADH7 | P40394 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA7 | P43166 | 1/20 | 0.35 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.35 |
| ▸ | PAOX | Q6QHF9 | 1/20 | 0.34 |
| ▸ | ACHE | P22303 | 1/20 | 0.34 |
| ▸ | EPHX1 | P07099 | 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 | |
|---|---|---|---|---|
| SCHEMBL10616403 | 0.97 | ALDH1A1 (0.45) | TSHRALDH1A1CA1CA2RELA | |
| SCHEMBL10617439 | 0.95 | ALDH1A1 (0.43) | TSHRALDH1A1CA1CA2RELA | |
| SCHEMBL10865684 | 0.89 | PAOX (0.36) | CA1CA2ADH1BADH1AADH7 | |
| SCHEMBL8779935 | 0.87 | FNTA (0.33) | — | |
| SCHEMBL25412885 | 0.85 | TSHR (0.46) | TSHRALDH1A1CA1CA2ADH1B | |
| SCHEMBL8821253 | 0.84 | CYP2C19 (0.33) | — | |
| SCHEMBL10618161 | 0.83 | CA1 (0.33) | CA1CA2 | |
| SCHEMBL8779904 | 0.82 | CA12 (0.37) | TSHRALDH1A1CA1CA2RELA | |
| SCHEMBL27550828 | 0.82 | TSHR (0.52) | TSHRALDH1A1CA1CA2S1PR2 | |
| SCHEMBL22800845 | 0.80 | CA1 (0.52) | TSHRALDH1A1CA1CA2S1PR2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4626589-A | Organic dye compound having both pyridiniotriazinyl and vinylsulfone type fiber-reactive groups | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1986-12-02 | — | — | US | disclosed |
| EP-0167219-A1 | Fiber-reactive compound having both pyridiniotriazinyl and vinylsulfone type groups | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1986-01-08 | — | — | EP | disclosed |