Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AURKA | O14965 | 1/20 | 0.54 |
| ▸ | PIM1 | P11309 | 1/20 | 0.54 |
| ▸ | CDK2 | P24941 | 1/20 | 0.54 |
| ▸ | GSK3B | P49841 | 1/20 | 0.54 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.50 |
| ▸ | NPC1 | O15118 | 5/20 | 0.49 |
| ▸ | RAB9A | P51151 | 5/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.48 |
| ▸ | LMNA | P02545 | 3/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.48 |
| ▸ | MEN1 | O00255 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | PKM | P14618 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL2829854 | 0.86 | SMN1; SMN2 (0.44) | AURKAPIM1CDK2GSK3BNPC1 | |
| SCHEMBL2828877 | 0.80 | RAB9A (0.52) | NPC1RAB9ASMN1; SMN2LMNAKMT2A | |
| SCHEMBL2826317 | 0.79 | NPC1 (0.59) | AURKAPIM1CDK2GSK3BNPC1 | |
| SCHEMBL2830797 | 0.78 | RAB9A (0.51) | NPC1RAB9ASMN1; SMN2KMT2AMEN1 | |
| SCHEMBL145495 | 0.77 | RAB9A (0.65) | AURKAPIM1CDK2GSK3BNPC1 | |
| SCHEMBL2825846 | 0.77 | KMT2A (0.46) | NPC1RAB9ALMNAKMT2ACYP1A2 | |
| SCHEMBL2827687 | 0.77 | MEN1 (0.49) | NPC1RAB9ASMN1; SMN2LMNAKMT2A | |
| SCHEMBL2832758 | 0.74 | ALDH1A1 (0.47) | NPC1RAB9ASMN1; SMN2LMNAKMT2A | |
| SCHEMBL2828125 | 0.73 | GRM5 (0.50) | AURKAPIM1CDK2GSK3BPTGS2 | |
| SCHEMBL2830058 | 0.72 | LMNA (0.50) | NPC1RAB9ALMNAKMT2AMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1844044-B1 | THIAZOLE-4-CARBOXAMIDE DERIVATIVES AS MGLUR5 ANTAGONISTS | HOFFMANN LA ROCHE (CH) | 2010-07-21 | — | — | EP | claimed |