Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO1 | P15559 | 1/20 | 0.46 |
| ▸ | SOS2 | Q07890 | 1/20 | 0.44 |
| ▸ | CTSB | P07858 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | RECQL | P46063 | 1/20 | 0.36 |
| ▸ | SQOR | Q9Y6N5 | 2/20 | 0.36 |
| ▸ | HPGDS | O60760 | 1/20 | 0.36 |
| ▸ | IDH1 | O75874 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | ENPP1 | P22413 | 1/20 | 0.34 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.33 |
| ▸ | SRC | P12931 | 1/20 | 0.33 |
| ▸ | EGFR | P00533 | 1/20 | 0.33 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL31432803 | 0.78 | NQO1 (0.47) | NQO1KDM4EMEN1ALDH1A1KMT2A | |
| SCHEMBL19144947 | 0.78 | NQO1 (0.47) | NQO1SOS2KDM4EMEN1ALDH1A1 | |
| SCHEMBL452416 | 0.78 | NQO1 (0.47) | NQO1KDM4EMEN1ALDH1A1KMT2A | |
| SCHEMBL11916706 | 0.77 | NQO1 (0.46) | NQO1SOS2KDM4EMEN1ALDH1A1 | |
| SCHEMBL18628783 | 0.77 | NQO1 (0.46) | NQO1KDM4EMEN1ALDH1A1KMT2A | |
| SCHEMBL20423361 | 0.77 | NQO1 (0.46) | NQO1KDM4EMEN1ALDH1A1KMT2A | |
| SCHEMBL19117561 | 0.74 | NQO1 (0.44) | NQO1KDM4EMEN1ALDH1A1KMT2A | |
| SCHEMBL1973272 | 0.74 | SOS2 (0.48) | NQO1SOS2CTSBKDM4EALDH1A1 | |
| SCHEMBL28290845 | 0.73 | NQO1 (0.42) | NQO1KDM4EMEN1ALDH1A1KMT2A | |
| SCHEMBL28276848 | 0.73 | MAOB (0.37) | KDM4EMEN1ALDH1A1KMT2ARECQL |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2350010-B1 | ISONICOTINAMIDE OREXIN RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME (US) | 2014-03-26 | — | — | EP | disclosed |
| EP-2350010-B1 | ISONICOTINAMIDE OREXIN RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME (US) | 2014-03-26 | — | — | EP | disclosed |
| US-8592457-B2 | Isonicotinamide orexin receptor antagonists | MERCK SHARP & DOHME CORP. (US) | 2013-11-26 | — | — | US | disclosed |
| US-20110201591-A1 | ISONICOTINAMIDE OREXIN RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME LLC | 2011-08-18 | — | — | US | disclosed |
| EP-2350010-A1 | ISONICOTINAMIDE OREXIN RECEPTOR ANTAGONISTS | Merck Sharp & Dohme Corp. (US) | 2011-08-03 | — | — | EP | disclosed |
| WO-2010051236-A1 | ISONICOTINAMIDE OREXIN RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME CORP. (US) | 2010-05-06 | — | — | WO | disclosed |
| WO-2010051236-A1 | ISONICOTINAMIDE OREXIN RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME CORP. (US) | 2010-05-06 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20110201591-A1 | ISONICOTINAMIDE OREXIN RECEPTOR ANTAGONISTS | HCRTR2, HCRTR1, NTSR2 | NQO1 859/4885SOS2 3043/4885CTSB 1848/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.