Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | APAF1 | O14727 | 6/20 | 0.66 |
| ▸ | CASP3 | P42574 | 6/20 | 0.66 |
| ▸ | CASP9 | P55211 | 6/20 | 0.66 |
| ▸ | CYCS | P99999 | 6/20 | 0.66 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | METAP2 | P50579 | 4/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | CCR5 | P51681 | 1/20 | 0.38 |
| ▸ | ACHE | P22303 | 1/20 | 0.37 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | P2RX7 | Q99572 | 2/20 | 0.36 |
| ▸ | METAP1 | P53582 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL5955953 | 0.95 | APAF1 (0.69) | APAF1CASP3CASP9CYCSKDM4E | |
| SCHEMBL9885477 | 0.91 | APAF1 (0.64) | APAF1CASP3CASP9CYCSKDM4E | |
| SCHEMBL3701083 | 0.85 | APAF1 (0.75) | APAF1CASP3CASP9CYCSKDM4E | |
| SCHEMBL5956385 | 0.83 | APAF1 (0.52) | APAF1CASP3CASP9CYCSKDM4E | |
| SCHEMBL3703369 | 0.81 | APAF1 (0.65) | APAF1CASP3CASP9CYCSCCR5 | |
| SCHEMBL16743047 | 0.81 | APAF1 (0.52) | APAF1CASP3CASP9CYCSKDM4E | |
| SCHEMBL9885474 | 0.80 | APAF1 (0.68) | APAF1CASP3CASP9CYCSCCR5 | |
| SCHEMBL3704146 | 0.79 | APAF1 (1.00) | APAF1CASP3CASP9CYCSMETAP2 | |
| SCHEMBL5956659 | 0.79 | APAF1 (0.48) | APAF1CASP3CASP9CYCSKDM4E | |
| SCHEMBL3698229 | 0.79 | APAF1 (0.50) | APAF1CASP3CASP9CYCSKDM4E |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011012746-A2 | APAF-1 INHIBITOR COMPOUNDS | LABORATORIOS SALVAT, S.A. (ES) | 2011-02-03 | — | — | WO | disclosed |