Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK1 | P06493 | 1/20 | 0.47 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.47 |
| ▸ | MGMT | P16455 | 1/20 | 0.47 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.47 |
| ▸ | CDK2 | P24941 | 1/20 | 0.47 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.47 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.41 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.40 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | CASP6 | P55212 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | MAOA | P21397 | 2/20 | 0.38 |
| ▸ | MAOB | P27338 | 2/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | RNASEH1 | O60930 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL8990708 | 0.81 | ADORA1 (0.45) | ADORA1ADORA2AADORA2BKDM4EMAOA | |
| SCHEMBL10244775 | 0.75 | MAPT (0.38) | CDK1CCNB1MGMTCCNA2CDK2 | |
| Hydrochloric Acid SCHEMBL30496698 | 0.71 | MAOB (0.54) | MAOAMAOBCYP2D6 | |
| SCHEMBL11002485 | 0.70 | HTR2C (0.46) | KDM4EMAPTMAOAMAOB | |
| SCHEMBL5458920 | 0.70 | APP (0.62) | CDK1CCNB1MGMTCCNA2CDK2 | |
| SCHEMBL2745214 | 0.67 | CDK2 (0.41) | CDK1CCNB1MGMTCCNA2CDK2 | |
| SCHEMBL4160357 | 0.67 | CDK2 (0.52) | CDK1CCNB1MGMTCCNA2CDK2 | |
| SCHEMBL5465696 | 0.67 | APP (0.59) | CDK1CCNB1MGMTCCNA2CDK2 | |
| SCHEMBL7988070 | 0.67 | CDK2 (0.77) | CDK1CCNB1MGMTCCNA2CDK2 | |
| SCHEMBL19714623 | 0.66 | HTR2C (0.48) | ADORA1ADORA2AADORA2BMAOAMAOB |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5500428-A | Furyl-substituted purines and adenosine antagonists | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1996-03-19 | — | — | US | disclosed |
| US-5300509-A | Adenosine antagonists for treating cardiovascular disorders, vasodilation | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1994-04-05 | — | — | US | disclosed |
| EP-0544445-A2 | Furyl-substituted purines, oxazolopyrimidines and pteridines as adenosine antagonists | ZENECA LIMITED (GB) | 1993-06-02 | — | — | EP | disclosed |