Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 10/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.47 |
| ▸ | HPGD | P15428 | 4/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | SDHB | P21912 | 2/20 | 0.47 |
| ▸ | NPC1 | O15118 | 2/20 | 0.47 |
| ▸ | RAB9A | P51151 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.46 |
| ▸ | GLA | P06280 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | CCNE2 | O96020 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL578289 | 0.87 | KDM4E (0.47) | KDM4EHSD17B10ALDH1A1HPGDMAPK1 | |
| SCHEMBL13147740 | 0.86 | IDH1 (0.41) | KDM4EHSD17B10ALDH1A1KMT2AADORA2A | |
| SCHEMBL13147660 | 0.84 | IDH1 (0.39) | KDM4EHSD17B10ALDH1A1HPGDMAPK1 | |
| SCHEMBL14706477 | 0.83 | KDM4E (0.44) | KDM4EHSD17B10ALDH1A1HPGDMAPK1 | |
| SCHEMBL13147664 | 0.82 | ALDH1A1 (0.44) | KDM4EHSD17B10ALDH1A1HPGDMAPK1 | |
| SCHEMBL13147683 | 0.81 | ADORA2A (0.42) | KDM4EHSD17B10ALDH1A1LMNAKMT2A | |
| SCHEMBL13147742 | 0.81 | IDH1 (0.37) | KDM4EHSD17B10ADORA2A | |
| SCHEMBL13147661 | 0.81 | IDH1 (0.37) | KDM4EALDH1A1KMT2A | |
| SCHEMBL13147657 | 0.81 | IDH1 (0.41) | RAB9ACYP19A1CDK2CYP1A2ADORA2A | |
| SCHEMBL13147680 | 0.79 | PTGS2 (0.40) | LMNASMN1; SMN2NPSR1CDK2MAPT |
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-2010118078-A1 | MACROCYCLIC SERINE PROTEASE INHIBITORS | IDENIX PHARMACEUTICALS, INC. (US) | 2010-10-14 | — | — | WO | disclosed |