Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDR | P35968 | 2/20 | 0.39 |
| ▸ | TRPV4 | Q9HBA0 | 4/20 | 0.39 |
| ▸ | NR2F2 | P24468 | 1/20 | 0.39 |
| ▸ | KARS1 | Q15046 | 3/20 | 0.37 |
| ▸ | NPC1 | O15118 | 5/20 | 0.35 |
| ▸ | RAB9A | P51151 | 5/20 | 0.35 |
| ▸ | LCK | P06239 | 3/20 | 0.35 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.35 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.35 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 5/20 | 0.34 |
| ▸ | MEN1 | O00255 | 4/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | LMNA | P02545 | 3/20 | 0.34 |
| ▸ | GAA | P10253 | 2/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.34 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.34 |
| ▸ | RELA | Q04206 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL1891863 | 0.79 | KDR (0.41) | KDRTRPV4NR2F2KARS1NPC1 | |
| SCHEMBL1888443 | 0.79 | NPC1 (0.48) | KDRTRPV4NR2F2NPC1RAB9A | |
| SCHEMBL2395328 | 0.74 | KDR (0.49) | KDRKARS1NPC1RAB9ALCK | |
| SCHEMBL1892738 | 0.74 | TP53 (0.41) | KDRKARS1LCKADORA3ADORA2A | |
| SCHEMBL1895171 | 0.73 | ADORA3 (0.52) | KDRTRPV4NR2F2KARS1NPC1 | |
| SCHEMBL2397191 | 0.72 | KDR (0.45) | KDRNPC1RAB9ALCKADORA3 | |
| SCHEMBL1885306 | 0.72 | KARS1 (0.48) | KARS1ADORA2AADORA1 | |
| SCHEMBL2394625 | 0.71 | KMT2A (0.43) | KDRNPC1RAB9ALCKADORA3 | |
| SCHEMBL2397578 | 0.70 | CDK2 (0.51) | KDRADORA3ADORA2AADORA1MAPT | |
| SCHEMBL2399934 | 0.70 | MEN1 (0.53) | KDRNPC1RAB9AADORA3ADORA2A |
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-1622897-A1 | INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE | Novartis AG (CH) | 2006-02-08 | — | — | EP | disclosed |
| WO-2004096797-A1 | INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE | NOVARTIS AG (CH) | 2004-11-11 | — | — | WO | disclosed |