Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | SMPD3 | Q9NY59 | 1/20 | 0.31 |
| ▸ | CA12 | O43570 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | CA4 | P22748 | 1/20 | 0.31 |
| ▸ | CA7 | P43166 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 1/20 | 0.31 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.31 |
| ▸ | PDE10A | Q9Y233 | 2/20 | 0.31 |
| ▸ | PLK4 | O00444 | 1/20 | 0.30 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.30 |
| ▸ | AURKA | O14965 | 1/20 | 0.30 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.30 |
| ▸ | LCK | P06239 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL3633069 | 0.77 | GABRA1 (0.30) | — | |
| SCHEMBL3578613 | 0.72 | — | — | |
| SCHEMBL2405925 | 0.72 | CA12 (0.35) | ALDH1A1CA12CA1CA2CA4 | |
| SCHEMBL3589332 | 0.72 | — | — | |
| SCHEMBL17372666 | 0.71 | — | — | |
| SCHEMBL8285706 | 0.71 | S1PR4 (0.50) | KDM4EALDH1A1MAPTMAPK1SMN1; SMN2 | |
| SCHEMBL17372681 | 0.71 | — | — | |
| SCHEMBL17372615 | 0.71 | USP8 (0.39) | KDM4EALDH1A1MAPTSMN1; SMN2 | |
| SCHEMBL25793367 | 0.65 | MAPT (0.35) | KDM4EALDH1A1MAPTPTGS2MAPK1 | |
| SCHEMBL8371346 | 0.65 | PLAU (0.44) | ALDH1A1MAPTSMN1; SMN2CA12CA1 |
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-2323985-A1 | TRIPYRIDYL CARBOXAMIDE OREXIN RECEPTOR ANTAGONISTS | Merck & Co., Inc. (US) | 2011-05-25 | — | — | EP | disclosed |
| WO-2010017260-A1 | TRIPYRIDYL CARBOXAMIDE OREXIN RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 2010-02-11 | — | — | WO | disclosed |