Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.38 |
| ▸ | POLB | P06746 | 2/20 | 0.38 |
| ▸ | VHL | P40337 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.34 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | GLA | P06280 | 2/20 | 0.33 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 3/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL17319627 | 0.74 | — | — | |
| SCHEMBL3526212 | 0.72 | HCAR2 (0.44) | HCAR2ALDH1A1KDM4EUSP2TSHR | |
| SCHEMBL17358166 | 0.71 | SIRT3 (0.45) | TP53 | |
| SCHEMBL5604308 | 0.70 | BRAF (0.34) | ALDH1A1KDM4ETSHRSMN1; SMN2KMT2A | |
| SCHEMBL222184 | 0.67 | — | — | |
| SCHEMBL28594084 | 0.66 | GAA (0.35) | ALDH1A1KDM4EPOLBKMT2ARAB9A | |
| SCHEMBL10677143 | 0.65 | SMN1; SMN2 (0.44) | ALDH1A1KDM4EUSP2TSHRSMN1; SMN2 | |
| SCHEMBL21816685 | 0.65 | MAPT (0.40) | ALDH1A1KDM4ESMN1; SMN2POLBKMT2A | |
| Hydrochloric Acid SCHEMBL11453326 | 0.65 | HCAR2 (0.96) | HCAR2ALDH1A1KDM4EUSP2TSHR | |
| SCHEMBL1896996 | 0.64 | ALDH1A1 (0.66) | HCAR2ALDH1A1SMN1; SMN2POLBVHL |
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 |
|---|---|---|---|---|---|---|---|
| US-20090088452-A1 | Indole Orexin Receptor Antagonists | MERCK SHARP & DOHME CORP. | 2009-04-02 | — | — | US | disclosed |
| US-7504420-B2 | Compounds which inhibit beta-secretase activity and methods of use | COMENTIS, INC. (US) | 2009-03-17 | — | — | US | disclosed |
| EP-1954276-A2 | INDOLE OREXIN RECEPTOR ANTAGONISTS | Merck & Co., Inc. (US) | 2008-08-13 | — | — | EP | disclosed |
| US-20080176939-A1 | COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF | COMENTIS, INC. (US) | 2008-07-24 | — | — | US | disclosed |
| EP-1871739-A1 | COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF | COMENTIS, INC. (US) | 2008-01-02 | — | — | EP | disclosed |
| WO-2007061763-A2 | INDOLE OREXIN RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 2007-05-31 | — | — | WO | disclosed |
| WO-2006110668-A1 | COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF | COMENTIS, INC. (US) | 2006-10-19 | — | — | 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 (2 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-20090088452-A1 | Indole Orexin Receptor Antagonists | HCRTR2, HCRTR1, OXTR | HCAR2 32/4885ALDH1A1 3088/4885KDM4E 1880/4885 |
| US-20080176939-A1 | COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF | BACE1, BACE2, APP | HCAR2 3349/4885ALDH1A1 2912/4885KDM4E 2768/4885 |
“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.