Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GBA1 | P04062 | 1/20 | 0.41 |
| ▸ | ESR1 | P03372 | 1/20 | 0.37 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 3/20 | 0.35 |
| ▸ | RAB9A | P51151 | 3/20 | 0.35 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.34 |
| ▸ | APLNR | P35414 | 1/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.33 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.33 |
| ▸ | MBOAT4 | Q96T53 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | PKM | P14618 | 1/20 | 0.31 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.31 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.31 |
| ▸ | RELA | Q04206 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL4765756 | 0.84 | GBA1 (0.40) | GBA1NPC1RAB9ASIRT2APLNR | |
| SCHEMBL5735771 | 0.83 | GBA1 (0.37) | GBA1ESR1ESR2SIRT2APLNR | |
| SCHEMBL1818568 | 0.83 | GBA1 (0.42) | GBA1ESR1ESR2NPC1RAB9A | |
| SCHEMBL5344274 | 0.81 | GBA1 (0.46) | GBA1ESR1ESR2NPC1RAB9A | |
| SCHEMBL14321841 | 0.79 | GBA1 (0.39) | GBA1ESR1ESR2NPC1RAB9A | |
| SCHEMBL5144435 | 0.78 | GBA1 (0.43) | GBA1ESR1ESR2NPC1RAB9A | |
| SCHEMBL14464977 | 0.78 | GBA1 (0.43) | GBA1ESR1ESR2NPC1RAB9A | |
| SCHEMBL30305975 | 0.78 | GBA1 (0.43) | GBA1ESR1ESR2NPC1RAB9A | |
| SCHEMBL3675774 | 0.78 | APLNR (0.36) | GBA1ESR1ESR2SIRT2APLNR | |
| SCHEMBL25250456 | 0.74 | GBA1 (0.40) | GBA1ESR1ESR2NPC1RAB9A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2655374-A1 | N-(1-(SUBSTITUTED-PHENYL)ETHYL)-9H-PURIN-6-AMINES AS PI3K INHIBITORS | Incyte Corporation (US) | 2013-10-30 | — | — | EP | disclosed |
| EP-2493889-A1 | IMIDAZO[1,2-b]PYRIDAZINE DERIVATIVES AND THEIR USE AS PDE10 INHIBITORS | Janssen Pharmaceutica, N.V. (BE) | 2012-09-05 | — | — | EP | disclosed |
| WO-2012087881-A1 | N-(1-(SUBSTITUTED-PHENYL)ETHYL)-9H-PURIN-6-AMINES AS PI3K INHIBITORS | INCYTE CORPORATION (US) | 2012-06-28 | — | — | WO | disclosed |
| WO-2011051342-A1 | IMIDAZO[1,2-b]PYRIDAZINE DERIVATIVES AND THEIR USE AS PDE10 INHIBITORS | JANSSEN PHARMACEUTICA NV (BE) | 2011-05-05 | — | — | WO | disclosed |