Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.38 |
| ▸ | PDE10A | Q9Y233 | 3/20 | 0.37 |
| ▸ | RAB9A | P51151 | 4/20 | 0.36 |
| ▸ | NPC1 | O15118 | 3/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | GLA | P06280 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | METTL3 | Q86U44 | 1/20 | 0.34 |
| ▸ | SYK | P43405 | 5/20 | 0.33 |
| ▸ | SRC | P12931 | 3/20 | 0.33 |
| ▸ | ZAP70 | P43403 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | MITF | O75030 | 1/20 | 0.33 |
| ▸ | KDM5A | P29375 | 1/20 | 0.33 |
| ▸ | KDM5C | P41229 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL3781186 | 0.74 | RAB9A (0.51) | PDE10ARAB9ANPC1KDM4EPOLB | |
| SCHEMBL3784431 | 0.72 | KDR (0.46) | PDPK1 | |
| SCHEMBL24320033 | 0.72 | ALDH1A3 (0.63) | RAB9ANPC1KDM4EPOLBMAPT | |
| SCHEMBL218318 | 0.69 | NR4A2 (0.36) | PDE10ARAB9ANPC1KDM4EPOLB | |
| SCHEMBL2433329 | 0.69 | APP (0.56) | RAB9ANPC1KDM4EALDH1A1MEN1 | |
| SCHEMBL219843 | 0.68 | ADORA2A (0.39) | NPC1KDM4EPOLBMAPTALDH1A1 | |
| SCHEMBL220762 | 0.68 | NR4A2 (0.40) | PDE10ANPC1POLBALDH1A1ALDH1A2 | |
| SCHEMBL11890086 | 0.68 | TLR9 (0.49) | HSP90AA1PDE10ARAB9ANPC1POLB | |
| SCHEMBL25294044 | 0.67 | METTL3 (0.45) | RAB9ANPC1KDM4EPOLBGAA | |
| SCHEMBL3433614 | 0.66 | NR4A2 (0.65) | PDE10AALDH1A1ALDH1A2ALDH1A3 |
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-2391619-A1 | HETEROARYLS AND THEIR USE AS PI3K INHIBITORS | Millennium Pharmaceuticals, Inc. (US) | 2011-12-07 | — | — | EP | disclosed |
| WO-2010090716-A1 | HETEROARYLS AND THEIR USE AS PI3K INHIBITORS | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2010-08-12 | — | — | WO | disclosed |