Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | CA12 | O43570 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.47 |
| ▸ | CA3 | P07451 | 1/20 | 0.47 |
| ▸ | CA4 | P22748 | 1/20 | 0.47 |
| ▸ | CA6 | P23280 | 1/20 | 0.47 |
| ▸ | CA5A | P35218 | 1/20 | 0.47 |
| ▸ | CA7 | P43166 | 1/20 | 0.47 |
| ▸ | CA9 | Q16790 | 1/20 | 0.47 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.47 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.47 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | GPR35 | Q9HC97 | 3/20 | 0.46 |
| ▸ | POLB | P06746 | 2/20 | 0.45 |
| ▸ | HTT | P42858 | 2/20 | 0.45 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL11676296 | 0.84 | POLB (0.49) | ALDH1A1CYP3A4LMNAGPR35POLB | |
| SCHEMBL2960533 | 0.82 | ALDH1A1 (0.56) | ALDH1A1CYP3A4LMNAGPR35POLB | |
| SCHEMBL6935992 | 0.79 | ALDH1A1 (0.56) | ALDH1A1CYP3A4CA1CA2LMNA | |
| SCHEMBL11676104 | 0.78 | ALDH1A1 (0.55) | ALDH1A1CYP3A4CA12CA1CA2 | |
| SCHEMBL46669 | 0.78 | CA1 (0.59) | ALDH1A1CYP3A4CA12CA1CA2 | |
| SCHEMBL11294647 | 0.78 | CA9 (0.59) | ALDH1A1CYP3A4CA12CA1CA2 | |
| Methylnitramide SCHEMBL3303092 | 0.76 | ALDH1A1 (0.61) | ALDH1A1CYP3A4LMNAGPR35POLB | |
| SCHEMBL266593 | 0.75 | ALDH1A1 (0.76) | ALDH1A1CYP3A4CA1CA2LMNA | |
| SCHEMBL11505093 | 0.73 | CA2 (0.53) | ALDH1A1CYP3A4CA12CA1CA2 | |
| SCHEMBL11441297 | 0.73 | ALDH1A1 (0.49) | ALDH1A1CYP3A4LMNAGPR35POLB |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0023770-A1 | Cationic pyridone azo dyestuffs, certain novel coupling components from which they are derived and processes for the manufacture of the dyestuffs and the coupling components | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1981-02-11 | — | — | EP | disclosed |
| US-4217271-A | Basic azo dyestuffs containing a n-picolinium alkylene amino phenyl group | IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) | 1980-08-12 | — | — | US | disclosed |
| US-4160643-A | FOR POLYMERS OF ACRYLONITRILE | IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) | 1979-07-10 | — | — | US | disclosed |
| US-4153413-A | DYEING POLYESTER OR CELLULOSE TRIACETATE WITH A DISPERSE AZO DYESTUFF, HEAT TREATMENT, PADDING, PRINTING | IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) | 1979-05-08 | — | — | US | disclosed |