Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDR | P35968 | 1/20 | 0.40 |
| ▸ | CDK2 | P24941 | 6/20 | 0.39 |
| ▸ | CDK4 | P11802 | 6/20 | 0.39 |
| ▸ | CCND1 | P24385 | 6/20 | 0.39 |
| ▸ | CCNE2 | O96020 | 5/20 | 0.39 |
| ▸ | CCNE1 | P24864 | 5/20 | 0.39 |
| ▸ | CCNB2 | O95067 | 5/20 | 0.39 |
| ▸ | CDK1 | P06493 | 5/20 | 0.39 |
| ▸ | CCNB1 | P14635 | 5/20 | 0.39 |
| ▸ | CCNB3 | Q8WWL7 | 5/20 | 0.39 |
| ▸ | CAMK2B | Q13554 | 4/20 | 0.39 |
| ▸ | CAMK2G | Q13555 | 4/20 | 0.39 |
| ▸ | CAMK2D | Q13557 | 4/20 | 0.39 |
| ▸ | CAMK2A | Q9UQM7 | 4/20 | 0.39 |
| ▸ | PRKACA | P17612 | 2/20 | 0.39 |
| ▸ | PRKACG | P22612 | 2/20 | 0.39 |
| ▸ | PRKACB | P22694 | 2/20 | 0.39 |
| ▸ | CDK5 | Q00535 | 4/20 | 0.36 |
| ▸ | CDK5R1 | Q15078 | 4/20 | 0.36 |
| ▸ | CCNA2 | P20248 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL25036988 | 0.85 | KDR (0.43) | KDRCDK2CDK4CCND1CCNE2 | |
| SCHEMBL29532065 | 0.74 | KDR (0.48) | KDRCDK5CDK5R1MEN1MAPT | |
| SCHEMBL8482582 | 0.74 | KDR (0.48) | KDRCDK5CDK5R1MEN1MAPT | |
| SCHEMBL10956537 | 0.72 | CES1 (0.47) | KDRCDK2CDK4CCND1CCNE2 | |
| SCHEMBL7118963 | 0.70 | CDK5 (0.54) | CDK5CDK5R1MEN1MAPTKMT2A | |
| SCHEMBL29532897 | 0.69 | CYP1B1 (0.39) | CCNB2CDK1CCNB1CCNB3CDK5 | |
| SCHEMBL24317908 | 0.69 | CYP1B1 (0.39) | CCNB2CDK1CCNB1CCNB3CDK5 | |
| SCHEMBL9728369 | 0.69 | POLB (0.48) | KDRCDK2CDK5CDK5R1CES1 | |
| SCHEMBL11633105 | 0.67 | ADORA2A (0.41) | KDRCDK2CDK4CCND1CCNE2 | |
| SCHEMBL281203 | 0.64 | CES1 (0.60) | KDRCDK5CES1MEN1MAPT |
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 |
|---|---|---|---|---|---|---|---|
| US-4529804-A | Naphthostyril Ni or Cu complexes, a process for their preparation, and high molecular weight organic material pigmented with these metal complexes | CIBA-GEIGY CORPORATION (US) | 1985-07-16 | — | — | US | disclosed |
| US-4268668-A | FOR WOOL AND POLYAMIDES | BAYER AKTIENGESELLSCHAFT (DE) | 1981-05-19 | — | — | US | disclosed |