Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | C5AR1 | P21730 | 1/20 | 0.39 |
| ▸ | MMP12 | P39900 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | TACR2 | P21452 | 3/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.34 |
| ▸ | APAF1 | O14727 | 3/20 | 0.34 |
| ▸ | CASP3 | P42574 | 3/20 | 0.34 |
| ▸ | CASP9 | P55211 | 3/20 | 0.34 |
| ▸ | CYCS | P99999 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL3705051 | 0.96 | APAF1 (0.36) | C5AR1KDM4EALDH1A1TACR2APAF1 | |
| SCHEMBL3697424 | 0.94 | APAF1 (0.34) | C5AR1KDM4EALDH1A1TACR2APAF1 | |
| SCHEMBL3700914 | 0.92 | TSHR (0.41) | ALDH1A1MAPK1APAF1CASP3CASP9 | |
| SCHEMBL3701950 | 0.91 | KCNJ1 (0.36) | KDM4EALDH1A1APAF1CASP3CASP9 | |
| SCHEMBL3696385 | 0.91 | PTGS2 (0.37) | KDM4EALDH1A1PTGS2APAF1CASP3 | |
| SCHEMBL3697589 | 0.89 | BCHE (0.37) | KDM4ETACR2 | |
| SCHEMBL3705123 | 0.89 | GPBAR1 (0.37) | C5AR1ALDH1A1APAF1CASP3CASP9 | |
| SCHEMBL3705169 | 0.88 | ALDH1A1 (0.36) | KDM4EALDH1A1TACR2APAF1CASP3 | |
| SCHEMBL3708097 | 0.87 | TSHR (0.34) | KDM4EALDH1A1TACR2 | |
| SCHEMBL3710700 | 0.86 | MDM2 (0.38) | KDM4EALDH1A1TACR2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2460798-A2 | APAF-1 INHIBITOR COMPOUNDS | Laboratorios SALVAT, S.A. (ES) | 2012-06-06 | — | — | EP | disclosed |