Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | GABRA2 | P47869 | 3/20 | 0.42 |
| ▸ | GABRB2 | P47870 | 3/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | CASP3 | P42574 | 1/20 | 0.41 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.41 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | KDM4A | O75164 | 1/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
| ▸ | MPI | P34949 | 1/20 | 0.41 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | APP | P05067 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL16504846 | 0.68 | KDM4E (0.53) | ALDH1A1KDM4EHPGDGAAMAPT | |
| SCHEMBL16330423 | 0.67 | TP53 (0.57) | ALDH1A1KDM4EHSD17B10HPGDALOX12 | |
| SCHEMBL16504996 | 0.65 | PDE4A (0.47) | ALDH1A1KDM4EHSD17B10HPGDNPC1 | |
| SCHEMBL28728715 | 0.64 | NPC1 (0.62) | ALDH1A1KDM4EHSD17B10HPGDALOX12 | |
| SCHEMBL9153563 | 0.64 | MAPT (0.49) | ALDH1A1KDM4EHSD17B10HPGDALOX12 | |
| SCHEMBL17902649 | 0.63 | CASP3 (0.56) | ALDH1A1KDM4EHSD17B10HPGDNPC1 | |
| SCHEMBL9208732 | 0.63 | CASP3 (0.66) | ALDH1A1KDM4EHSD17B10HPGDCASP3 | |
| SCHEMBL10374929 | 0.63 | TP53 (0.75) | ALDH1A1KDM4EHSD17B10HPGDALOX12 | |
| SCHEMBL3494358 | 0.63 | ALDH1A1 (0.54) | ALDH1A1ALOX12TP53GABRA2GABRB2 | |
| SCHEMBL1078509 | 0.62 | TP53 (0.58) | ALDH1A1KDM4EHSD17B10HPGDALOX12 |
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-2078018-A1 | HETEROARYL COMPOUNDS, COMPOSITIONS THEREOF, AND USE THEREOF AS PROTEIN KINASE INHIBITORS | Signal Pharmaceuticals LLC (US) | 2009-07-15 | — | — | EP | disclosed |
| WO-2008051494-A1 | HETEROARYL COMPOUNDS, COMPOSITIONS THEREOF, AND USE THEREOF AS PROTEIN KINASE INHIBITORS | SIGNAL PHARMACEUTICALS, LLC (US) | 2008-05-02 | — | — | WO | disclosed |