Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 9/20 | 0.63 |
| ▸ | CA2 | P00918 | 9/20 | 0.63 |
| ▸ | CA9 | Q16790 | 6/20 | 0.63 |
| ▸ | CA12 | O43570 | 4/20 | 0.63 |
| ▸ | CA14 | Q9ULX7 | 4/20 | 0.63 |
| ▸ | CA5A | P35218 | 3/20 | 0.63 |
| ▸ | CA3 | P07451 | 2/20 | 0.63 |
| ▸ | CA4 | P22748 | 2/20 | 0.63 |
| ▸ | CA6 | P23280 | 2/20 | 0.63 |
| ▸ | CA7 | P43166 | 2/20 | 0.63 |
| ▸ | CA13 | Q8N1Q1 | 2/20 | 0.63 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.63 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.56 |
| ▸ | FLT1 | P17948 | 1/20 | 0.54 |
| ▸ | FLT4 | P35916 | 1/20 | 0.54 |
| ▸ | KDR | P35968 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | GLA | P06280 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL7767864 | 0.89 | CYP1A2 (0.58) | CA1CA2CA9CA12CA14 | |
| SCHEMBL28180410 | 0.89 | CYP1A2 (0.67) | CYP1A2CYP2C9CYP2C19FLT1FLT4 | |
| SCHEMBL2724772 | 0.89 | CYP1A2 (0.67) | CYP1A2CYP2C9CYP2C19FLT1FLT4 | |
| SCHEMBL11320631 | 0.89 | CYP1A2 (0.67) | CYP1A2CYP2C9CYP2C19FLT1FLT4 | |
| SCHEMBL29242 | 0.89 | CYP1A2 (0.67) | CYP1A2CYP2C9CYP2C19FLT1FLT4 | |
| SCHEMBL7769139 | 0.87 | CYP1A2 (0.56) | CA1CA2CA9CA12CA14 | |
| Sulfuric Acid SCHEMBL10534239 | 0.87 | FLT1 (0.58) | CA1CA2CA9CA12CA14 | |
| Fluoride SCHEMBL8146479 | 0.86 | CYP1A2 (0.64) | CYP1A2CYP2C9CYP2C19FLT1FLT4 | |
| SCHEMBL10506583 | 0.86 | CYP1A2 (0.64) | CYP1A2CYP2C9CYP2C19FLT1FLT4 | |
| SCHEMBL10506577 | 0.86 | CYP1A2 (0.64) | CA1CA2CYP1A2CYP2C9CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0205079-B1 | ACID DISULFIMIDE TRIPHENODIOXAZINE DYES | BAYER AG (DE) | 1992-01-22 | — | — | EP | disclosed |
| EP-0205079-A2 | Acid disulfimide triphenodioxazine dyes | BAYER AG (DE) | 1986-12-17 | — | — | EP | disclosed |