Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM5 | P41594 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.49 |
| ▸ | RAB9A | P51151 | 2/20 | 0.49 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.49 |
| ▸ | RELA | Q04206 | 2/20 | 0.49 |
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | TP53 | P04637 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | GLA | P06280 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.45 |
| ▸ | PDE10A | Q9Y233 | 9/20 | 0.45 |
| ▸ | KDR | P35968 | 1/20 | 0.43 |
| ▸ | ADCY8 | P40145 | 1/20 | 0.42 |
| ▸ | ADCY1 | Q08828 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | THRB | P10828 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL26673922 | 0.73 | GRM5 (0.58) | GRM5KDM4EALDH1A1 | |
| SCHEMBL15048619 | 0.71 | NPC1 (0.46) | KDM4ESMN1; SMN2ALDH1A1RAB9ANPC1 | |
| SCHEMBL15048620 | 0.70 | RAB9A (0.49) | KDM4ESMN1; SMN2ALDH1A1NFKB1RAB9A | |
| SCHEMBL24571411 | 0.68 | MAPT (0.49) | GRM5RAB9ANPC1 | |
| SCHEMBL22659085 | 0.68 | NPC1 (0.46) | RAB9ANPC1KDR | |
| SCHEMBL20524671 | 0.68 | NOTUM (0.56) | KDM4ESMN1; SMN2RAB9ANPC1KDR | |
| SCHEMBL4411512 | 0.67 | KDM5A (0.60) | KDM4ESMN1; SMN2ALDH1A1NFKB1RAB9A | |
| SCHEMBL3860280 | 0.66 | RAB9A (1.00) | GRM5KDM4ESMN1; SMN2ALDH1A1NFKB1 | |
| SCHEMBL5924123 | 0.66 | GRM5 (1.00) | GRM5ALDH1A1 | |
| SCHEMBL30904872 | 0.66 | KDR (0.84) | KDM4ESMN1; SMN2ALDH1A1RAB9ANPC1 |
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-2011089132-A1 | NITROGEN-CONTAINING HETEROARYL DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2011-07-28 | — | — | WO | disclosed |