Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | PARP1 | P09874 | 7/20 | 0.42 |
| ▸ | CGAS | Q8N884 | 3/20 | 0.39 |
| ▸ | CDK19 | Q9BWU1 | 1/20 | 0.39 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | PLK4 | O00444 | 1/20 | 0.36 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.36 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.36 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.36 |
| ▸ | AKT3 | Q9Y243 | 1/20 | 0.36 |
| ▸ | WDR5 | P61964 | 1/20 | 0.33 |
| ▸ | PTPRC | P08575 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | HTR2C | P28335 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL3881114 | 0.82 | ALDH1A1 (0.50) | ALDH1A1CGASCDK19ALKWDR5 | |
| SCHEMBL30557434 | 0.82 | ALDH1A1 (0.50) | ALDH1A1CGASCDK19ALKWDR5 | |
| SCHEMBL10593082 | 0.81 | ALDH1A1 (0.43) | ALDH1A1PARP1CGASCDK19ALK | |
| SCHEMBL11640715 | 0.78 | ALDH1A1 (0.48) | ALDH1A1PARP1CGASCDK19ALK | |
| SCHEMBL2334033 | 0.70 | ALDH1A1 (0.61) | ALDH1A1CGASCDK19ALKCA1 | |
| SCHEMBL9096475 | 0.69 | MMP2 (0.41) | WDR5HTR2AHTR2CKCNH2NPC1 | |
| SCHEMBL9191686 | 0.69 | ALDH1A1 (0.56) | ALDH1A1PARP1CA1CA2CA9 | |
| SCHEMBL2390305 | 0.69 | ALDH1A1 (0.49) | ALDH1A1CGASCDK19ALKCA1 | |
| SCHEMBL29965835 | 0.68 | ESR1 (0.44) | ALDH1A1PARP1NPC1RAB9APOLB | |
| SCHEMBL2224694 | 0.68 | ESR1 (0.44) | ALDH1A1PARP1NPC1RAB9APOLB |
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 |
|---|---|---|---|---|---|---|---|
| US-4115450-A | COLOR FORMERS | CIBA-GEIGY CORPORATION (US) | 1978-09-19 | — | — | US | disclosed |
| US-4089546-A | AZINE COMPOUNDS | CIBA-GEIGY CORPORATION (US) | 1978-05-16 | — | — | US | disclosed |
| US-4054718-A | Heat-sensitive recording material containing a malachite green color former | CIBA-GEIGY CORPORATION (US) | 1977-10-18 | — | — | US | disclosed |
| US-4025090-A | Pressure-sensitive or heat-sensitive recording material | CIBA-GEIGY CORPORATION (US) | 1977-05-24 | — | — | US | disclosed |