Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.46 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.46 |
| ▸ | CHAT | P28329 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 6/20 | 0.42 |
| ▸ | HPGD | P15428 | 3/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.42 |
| ▸ | HPRT1 | P00492 | 1/20 | 0.42 |
| ▸ | GRM5 | P41594 | 1/20 | 0.40 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.39 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.39 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.39 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL7103761 | 0.81 | CHAT (0.53) | CA1CA2ALDH1A1HSD17B10CYP2A6 | |
| SCHEMBL507946 | 0.80 | CA1 (0.47) | CA1CA2ALDH1A1HSD17B10CYP2A6 | |
| SCHEMBL814962 | 0.79 | HPRT1 (0.52) | CA1CA2ALDH1A1HSD17B10CYP2A6 | |
| SCHEMBL1141298 | 0.79 | HPRT1 (0.52) | CA1CA2ALDH1A1HSD17B10CYP2A6 | |
| SCHEMBL29661843 | 0.79 | CHAT (0.60) | CA1CA2ALDH1A1HSD17B10CYP2A6 | |
| SCHEMBL10804459 | 0.79 | HPRT1 (0.52) | CA1CA2ALDH1A1HSD17B10CYP2A6 | |
| SCHEMBL2776015 | 0.79 | CHAT (0.60) | CA1CA2ALDH1A1HSD17B10CYP2A6 | |
| SCHEMBL6364668 | 0.77 | CHAT (0.58) | CA1CA2ALDH1A1HSD17B10CYP2A6 | |
| SCHEMBL5014214 | 0.75 | CHAT (0.52) | CA1CA2ALDH1A1HSD17B10CYP2A6 | |
| SCHEMBL1027269 | 0.75 | CA1 (0.47) | CA1CA2ALDH1A1HSD17B10CYP2A6 |
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-0485329-B1 | Triphenedioxazine compounds, process for their preparation, and their use | CIBA GEIGY AG (CH) | 1997-11-05 | — | — | EP | claimed |
| EP-0485329-B1 | Triphenedioxazine compounds, process for their preparation, and their use | CIBA GEIGY AG (CH) | 1997-11-05 | — | — | EP | disclosed |