Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | RECQL | P46063 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 2/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.43 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.43 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.43 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | KLK7 | P49862 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 2/20 | 0.38 |
| ▸ | CA2 | P00918 | 2/20 | 0.38 |
| ▸ | CA9 | Q16790 | 2/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | SFRP1 | Q8N474 | 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 | |
|---|---|---|---|---|
| SCHEMBL10891189 | 0.92 | GAA (0.52) | CYP2C9CYP2C19RECQLGAATSHR | |
| SCHEMBL10893133 | 0.86 | SIGMAR1 (0.48) | CYP2C19TSHRALDH1A1KMT2A | |
| SCHEMBL10891922 | 0.82 | CYP2D6 (0.46) | CYP2C9CYP2C19RECQLGAATSHR | |
| SCHEMBL10891903 | 0.81 | RECQL (0.41) | CYP2C9CYP2C19RECQLGAATSHR | |
| SCHEMBL10894742 | 0.81 | GAA (0.52) | CYP2C9CYP2C19RECQLGAAPDK1 | |
| SCHEMBL10894158 | 0.79 | GAA (0.50) | CYP2C9CYP2C19RECQLGAAPOLB | |
| SCHEMBL10891785 | 0.79 | RAPGEF4 (0.36) | RECQLGAAPOLBALDH1A1KMT2A | |
| SCHEMBL10890812 | 0.78 | GAA (0.49) | CYP2C9CYP2C19RECQLGAAPDK1 | |
| Hydrochloric Acid SCHEMBL10894674 | 0.78 | GAA (0.49) | CYP2C9CYP2C19RECQLGAAPOLB | |
| SCHEMBL10635283 | 0.77 | RAPGEF4 (0.44) | CYP2C9CYP2C19RECQLGAAPOLB |
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-4588810-A | Basic triphendioxazine dyestuffs | BAYER AKTIENGESELLSCHAFT (DE) | 1986-05-13 | — | — | US | disclosed |