Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FDPS | P14324 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | HK1 | P19367 | 1/20 | 0.38 |
| ▸ | HKDC1 | Q2TB90 | 1/20 | 0.38 |
| ▸ | BCAT1 | P54687 | 1/20 | 0.37 |
| ▸ | FHIT | P49789 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.35 |
| ▸ | USP7 | Q93009 | 1/20 | 0.35 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.34 |
| ▸ | IDO1 | P14902 | 1/20 | 0.34 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL8156861 | 0.84 | ALDH1A1 (0.41) | FDPSKDM4EALDH1A1SMN1; SMN2HK1 | |
| SCHEMBL8135748 | 0.81 | MAPK1 (0.47) | FDPSKDM4EALDH1A1SMN1; SMN2FHIT | |
| SCHEMBL8135151 | 0.81 | RIPK1 (0.41) | KDM4EALDH1A1SMN1; SMN2HK1HKDC1 | |
| SCHEMBL8146580 | 0.76 | PTGDR2 (0.41) | KDM4EALDH1A1FHITMDM2NPSR1 | |
| SCHEMBL8146583 | 0.76 | PTGDR2 (0.41) | KDM4EALDH1A1FHITMDM2NPSR1 | |
| SCHEMBL8150532 | 0.69 | CNR2 (0.34) | KDM4EALDH1A1SMN1; SMN2HK1HKDC1 | |
| SCHEMBL8154171 | 0.68 | PDE10A (0.33) | ALDH1A1SMN1; SMN2HK1HKDC1KCNH2 | |
| SCHEMBL9174685 | 0.68 | CCNA2 (0.40) | KDM4EALDH1A1NPSR1 | |
| SCHEMBL8157833 | 0.68 | HTR3A (0.38) | KDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL8917253 | 0.68 | KDM4E (0.47) | KDM4EALDH1A1SMN1; SMN2MDM2NPSR1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1019380-A2 | TRICYCLIC 3-OXO-PROPANENITRILE COMPOUNDS | PHARMACIA & UPJOHN S.p.A. (IT) | 2000-07-19 | — | — | EP | disclosed |
| WO-1999016753-A2 | TRICYCLIC 3-OXO-PROPANENITRILE COMPOUNDS | PHARMACIA & UPJOHN S.P.A. (IT) | 1999-04-08 | — | — | WO | disclosed |