Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOTUM | Q6P988 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | RAB9A | P51151 | 3/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.36 |
| ▸ | PPARA | Q07869 | 2/20 | 0.34 |
| ▸ | AURKA | O14965 | 1/20 | 0.34 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.34 |
| ▸ | JAK2 | O60674 | 1/20 | 0.34 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.34 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.34 |
| ▸ | PIM1 | P11309 | 1/20 | 0.34 |
| ▸ | CDK2 | P24941 | 1/20 | 0.34 |
| ▸ | MARK3 | P27448 | 1/20 | 0.34 |
| ▸ | GSK3A | P49840 | 1/20 | 0.34 |
| ▸ | GSK3B | P49841 | 1/20 | 0.34 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.34 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.34 |
| ▸ | ROCK1 | Q13464 | 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 | |
|---|---|---|---|---|
| SCHEMBL4050876 | 0.82 | CYP3A4 (0.38) | NOTUMTDP1ALDH1A1RAB9ASMN1; SMN2 | |
| SCHEMBL4041589 | 0.76 | NOTUM (0.51) | NOTUMTDP1ALDH1A1RAB9ASMN1; SMN2 | |
| SCHEMBL4629123 | 0.73 | NOTUM (0.68) | NOTUMTDP1ALDH1A1RAB9ASMN1; SMN2 | |
| SCHEMBL4040715 | 0.72 | MLLT1 (0.36) | ALDH1A1RAB9ASMN1; SMN2PPARAMAPT | |
| SCHEMBL21268599 | 0.70 | IDO1 (0.42) | RAB9ACYP1A2CYP2C19 | |
| SCHEMBL3189738 | 0.68 | L3MBTL1 (0.37) | L3MBTL1CHRNB2CHRNA4 | |
| SCHEMBL29234853 | 0.66 | HCAR2 (0.42) | PPARAPPARGPPARD | |
| SCHEMBL925379 | 0.66 | IDO1 (0.56) | RAB9ACYP1A2CYP2C19 | |
| SCHEMBL12002587 | 0.65 | CYP3A4 (0.38) | — | |
| SCHEMBL29791987 | 0.65 | KCNH2 (0.40) | CHRNB2CHRNA4 |
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-2027128-A2 | FUSED HETEROCYLIC COMPOUNDS AND THEIR USE AS MGLUR5 MODULATORS | Astra Zeneca AB (SE) | 2009-02-25 | — | — | EP | claimed |
| WO-2007130825-A2 | FUSED HETEROCYCLIC COMPOUNDS AND THEIR USE AS MGLUR5 MODULATORS | ASTRAZENECA AB (SE) | 2007-11-15 | — | — | WO | claimed |