Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AOC3 | Q16853 | 5/20 | 0.62 |
| ▸ | IDO1 | P14902 | 2/20 | 0.43 |
| ▸ | TDO2 | P48775 | 2/20 | 0.43 |
| ▸ | GABBR2 | O75899 | 1/20 | 0.41 |
| ▸ | GABBR1 | Q9UBS5 | 1/20 | 0.41 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.38 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.38 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.37 |
| ▸ | MMP1 | P03956 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | MMP9 | P14780 | 1/20 | 0.36 |
| ▸ | MMP12 | P39900 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL12454628 | 1.00 | AOC3 (0.62) | AOC3IDO1TDO2GABBR2GABBR1 | |
| SCHEMBL16334290 | 1.00 | AOC3 (0.62) | AOC3IDO1TDO2GABBR2GABBR1 | |
| SCHEMBL13569343 | 0.81 | AOC3 (0.42) | AOC3 | |
| SCHEMBL13569341 | 0.81 | AOC3 (0.42) | AOC3 | |
| SCHEMBL17112356 | 0.81 | AOC3 (0.59) | AOC3IDO1TDO2GRIN1GRIN2B | |
| SCHEMBL18257696 | 0.81 | AOC3 (0.42) | AOC3 | |
| SCHEMBL7699744 | 0.79 | HTR2A (0.48) | AOC3IDO1SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL4258311 | 0.79 | TAAR1 (0.52) | AOC3GRIN1GRIN2BSLC6A2SLC6A3 | |
| SCHEMBL13569328 | 0.79 | AOC3 (0.62) | AOC3SLC6A2SLC6A4SLC6A3CYP2D6 | |
| SCHEMBL1571238 | 0.79 | AOC3 (0.62) | AOC3IDO1TDO2GABBR2GABBR1 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2900241-A2 | NOVEL COMPOUNDS THAT ARE ERK INHIBITORS | Merck Sharp & Dohme Corp. (US) | 2015-08-05 | — | — | EP | disclosed |
| EP-1796675-A4 | COMPOSITIONS AND METHODS FOR TREATING OPHTHALMIC DISEASES | MERCK & CO INC (US) | 2009-03-04 | — | — | EP | disclosed |
| US-20080004262-A1 | Tricyclic Benzopyrane Compound as Anti-Arrhythmic Agents | NISSAN CHEMICAL INDUSTRIES, LTD. (JP) | 2008-01-03 | — | — | US | disclosed |
| EP-1796675-A2 | COMPOSITIONS AND METHODS FOR TREATING OPHTHALMIC DISEASES | Merck & Co., Inc. (US) | 2007-06-20 | — | — | EP | disclosed |
| WO-2006039252-A2 | COMPOSITIONS AND METHODS FOR TREATING OPHTHALMIC DISEASES | MERCK & CO., INC. (US) | 2006-04-13 | — | — | WO | disclosed |
| EP-0861244-A1 | AZETIDINE, PYRROLIDINE AND PIPERIDINE DERIVATIVES | MERCK SHARP & DOHME LTD. (GB) | 1998-09-02 | — | — | EP | disclosed |
| EP-0804434-A1 | AZETIDINE, PYRROLIDINE AND PIPERIDINE DERIVATIVES | MERCK SHARP & DOHME LTD. (GB) | 1997-11-05 | — | — | EP | disclosed |
| WO-1997018201-A1 | AZETIDINE, PYRROLIDINE AND PIPERIDINE DERIVATIVES | MERCK SHARP & DOHME LIMITED (GB) | 1997-05-22 | — | — | WO | disclosed |
| WO-1996004274-A1 | AZETIDINE, PYRROLIDINE AND PIPERIDINE DERIVATIVES | MERCK SHARP & DOHME LIMITED (GB) | 1996-02-15 | — | — | 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-20080004262-A1 | Tricyclic Benzopyrane Compound as Anti-Arrhythmic Agents | CBR1, CBR3, SCN8A | AOC3 941/4885IDO1 3364/4885TDO2 632/4885 |
“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.