Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK1 | P06493 | 1/20 | 0.37 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.37 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.37 |
| ▸ | CDK2 | P24941 | 1/20 | 0.37 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.37 |
| ▸ | NOS3 | P29474 | 1/20 | 0.36 |
| ▸ | NOS1 | P29475 | 1/20 | 0.36 |
| ▸ | NOS2 | P35228 | 1/20 | 0.36 |
| ▸ | HRH4 | Q9H3N8 | 4/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.33 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.33 |
| ▸ | HEXA | P06865 | 2/20 | 0.32 |
| ▸ | HEXB | P07686 | 2/20 | 0.32 |
| ▸ | DHFR | P00374 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | ATM | Q13315 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL27544017 | 0.74 | HEXA (0.49) | NOS2HEXAHEXBDHFR | |
| SCHEMBL1091936 | 0.71 | DHFR (0.47) | NOS2CYP2D6TLR7HEXAHEXB | |
| SCHEMBL17545030 | 0.69 | DHFR (0.54) | CYP2D6TLR7HEXAHEXBDHFR | |
| SCHEMBL1090279 | 0.69 | ALDH1A1 (0.39) | CYP2D6HEXAHEXBDHFRALDH1A1 | |
| SCHEMBL18601613 | 0.69 | HRH4 (0.41) | CDK1CCNB1CCNA2CDK2CCNA1 | |
| SCHEMBL11413670 | 0.69 | CASP1 (0.54) | CDK1CCNB1CCNA2CDK2CCNA1 | |
| SCHEMBL1090895 | 0.67 | TLR8 (0.46) | NOS3NOS1NOS2CYP2D6TLR7 | |
| SCHEMBL1091993 | 0.67 | KMT2A (0.36) | NOS1CYP2D6HEXAHEXBDHFR | |
| SCHEMBL6950562 | 0.65 | CDK1 (0.42) | CDK1CCNB1CCNA2CDK2CCNA1 | |
| SCHEMBL4455870 | 0.65 | CDK2 (0.62) | CDK1CCNB1CCNA2CDK2CCNA1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8153625-B2 | Nitrogen-containing heterocyclic compounds and medicinal use thereof | ONO PHARMACEUTICAL CO., LTD. (JP) | 2012-04-10 | — | — | US | disclosed |