Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNN4 | O15554 | 2/20 | 0.52 |
| ▸ | KCNA3 | P22001 | 2/20 | 0.52 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | MMP2 | P08253 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.38 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.38 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.38 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.38 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.38 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.38 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.37 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.37 |
| ▸ | AURKA | O14965 | 1/20 | 0.37 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.37 |
| ▸ | CDK2 | P24941 | 1/20 | 0.37 |
| ▸ | PLK1 | P53350 | 1/20 | 0.37 |
| ▸ | CCNA1 | P78396 | 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 | |
|---|---|---|---|---|
| SCHEMBL2704914 | 0.87 | KCNN4 (0.47) | KCNN4KCNA3L3MBTL1ALDH1A1TP53 | |
| SCHEMBL4248778 | 0.79 | KCNN4 (0.52) | KCNN4KCNA3L3MBTL1MMP2ALDH1A1 | |
| SCHEMBL12240648 | 0.76 | NOTUM (0.49) | TP53AURKACCNA2CDK2PLK1 | |
| SCHEMBL2702423 | 0.75 | CCNA2 (0.51) | KCNN4KCNA3AURKACCNA2CDK2 | |
| SCHEMBL4783055 | 0.73 | CNR2 (0.48) | — | |
| SCHEMBL2705290 | 0.72 | CA9 (0.52) | KCNN4KCNA3ALDH1A1TP53CCNA2 | |
| SCHEMBL28665779 | 0.71 | KCNA3 (0.89) | KCNN4KCNA3L3MBTL1MMP2ALDH1A1 | |
| SCHEMBL8135760 | 0.71 | KCNA3 (0.62) | KCNN4KCNA3L3MBTL1MMP2ALDH1A1 | |
| SCHEMBL8135759 | 0.71 | KCNA3 (0.62) | KCNN4KCNA3L3MBTL1MMP2ALDH1A1 | |
| SCHEMBL14621111 | 0.70 | KCNA3 (0.68) | KCNN4KCNA3L3MBTL1MMP2PSEN1 |
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 |