Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 6/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.37 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.37 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 5/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.36 |
| ▸ | AVPR1A | P37288 | 4/20 | 0.36 |
| ▸ | OXTR | P30559 | 1/20 | 0.36 |
| ▸ | ITGB2 | P05107 | 1/20 | 0.36 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.36 |
| ▸ | ITGAL | P20701 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL9101222 | 0.90 | ITGB2 (0.39) | MAPTHDAC1HDAC8HDAC6MEN1 | |
| SCHEMBL3700729 | 0.88 | MAPT (0.40) | MAPTHDAC1HDAC8HDAC6ITGB2 | |
| SCHEMBL9099926 | 0.85 | HDAC1 (0.32) | MAPTHDAC1HDAC8HDAC6AVPR1A | |
| SCHEMBL9107165 | 0.80 | MAPT (0.47) | MAPTMEN1KMT2AALDH1A1SMN1; SMN2 | |
| SCHEMBL3701041 | 0.80 | MAPT (0.35) | MAPTHDAC1HDAC8HDAC6AVPR1A | |
| SCHEMBL9103931 | 0.80 | ITGB2 (0.44) | MAPTHDAC1HDAC8HDAC6MEN1 | |
| SCHEMBL3704831 | 0.79 | APAF1 (0.36) | MAPTHDAC1HDAC8HDAC6AVPR1A | |
| SCHEMBL3705192 | 0.79 | MAPT (0.37) | MAPTHDAC1HDAC8HDAC6MEN1 | |
| SCHEMBL9102425 | 0.78 | MAPT (0.44) | MAPTMEN1KMT2AITGB2ICAM1 | |
| SCHEMBL3697542 | 0.77 | ITGB2 (0.40) | MAPTHDAC1HDAC8HDAC6MEN1 |
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 |