Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 5/20 | 0.47 |
| ▸ | KDR | P35968 | 1/20 | 0.40 |
| ▸ | TGM2 | P21980 | 5/20 | 0.39 |
| ▸ | GSK3B | P49841 | 2/20 | 0.39 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.39 |
| ▸ | CDK1 | P06493 | 1/20 | 0.39 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.39 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.39 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.38 |
| ▸ | BRD4 | O60885 | 1/20 | 0.37 |
| ▸ | CDK2 | P24941 | 2/20 | 0.37 |
| ▸ | CCNE2 | O96020 | 1/20 | 0.37 |
| ▸ | CDK4 | P11802 | 1/20 | 0.37 |
| ▸ | CCND1 | P24385 | 1/20 | 0.37 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.37 |
| ▸ | CAMK2B | Q13554 | 1/20 | 0.37 |
| ▸ | CAMK2G | Q13555 | 1/20 | 0.37 |
| ▸ | CAMK2D | Q13557 | 1/20 | 0.37 |
| ▸ | CAMK2A | Q9UQM7 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL8796831 | 0.74 | KDM4E (0.51) | CES1KDRBRD4ALDH1A1CDK5 | |
| SCHEMBL10949405 | 0.72 | KDR (0.40) | CES1KDRGSK3BCCNB2CDK1 | |
| SCHEMBL11375545 | 0.70 | ALDH1A1 (0.55) | BRD4ALDH1A1CDK5CDK5R1TNF | |
| SCHEMBL27454107 | 0.69 | ATG4B (0.52) | CES1KDRTGM2GSK3BCDK1 | |
| SCHEMBL10390928 | 0.69 | POLB (0.48) | CES1TGM2GSK3BBRD4CDK2 | |
| SCHEMBL25036988 | 0.69 | KDR (0.43) | CES1KDRGSK3BCCNB2CDK1 | |
| SCHEMBL11430142 | 0.68 | CYP1A2 (0.43) | CES1TGM2GSK3BCHEK1CDK2 | |
| SCHEMBL10484680 | 0.67 | CES1 (0.45) | CES1KDRGSK3BCCNB2CDK1 | |
| SCHEMBL11633105 | 0.67 | ADORA2A (0.41) | KDRTGM2GSK3BCCNB2CDK1 | |
| SCHEMBL11756770 | 0.66 | PARP1 (0.45) | CES1KDRGSK3BCHEK1CDK2 |
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-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 |
| US-4246422-A | Naphtholactam dyestuffs | CIBA-GEIGY AG (CH) | 1981-01-20 | — | — | US | disclosed |
| US-4146541-A | YELLOW SHADE ON POLYESTERS | CIBA-GEIGY AG (CH) | 1979-03-27 | — | — | US | disclosed |