Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.47 |
| ▸ | GLA | P06280 | 3/20 | 0.47 |
| ▸ | MAPT | P10636 | 3/20 | 0.47 |
| ▸ | CTDSP1 | Q9GZU7 | 2/20 | 0.44 |
| ▸ | GRM1 | Q13255 | 1/20 | 0.44 |
| ▸ | BLM | P54132 | 1/20 | 0.44 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | RECQL | P46063 | 1/20 | 0.44 |
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | BRD4 | O60885 | 1/20 | 0.40 |
| ▸ | IDO1 | P14902 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL3517906 | 0.80 | PKM (0.41) | ALDH1A1MAPTKDM4ECYP3A4CYP2C9 | |
| SCHEMBL19838777 | 0.76 | BRD4 (0.52) | ALDH1A1GLAMAPTKDM4ECYP1A2 | |
| SCHEMBL29596532 | 0.76 | BRD4 (0.52) | ALDH1A1GLAMAPTKDM4ECYP1A2 | |
| SCHEMBL10507693 | 0.73 | ALDH1A1 (0.53) | ALDH1A1GLAMAPTCTDSP1GRM1 | |
| SCHEMBL10381743 | 0.73 | ALDH1A1 (0.43) | ALDH1A1GLAMAPTCTDSP1GRM1 | |
| SCHEMBL3611955 | 0.72 | ATM (0.36) | ALDH1A1GLAMAPTCTDSP1GRM1 | |
| SCHEMBL2156979 | 0.71 | PRKCA (0.44) | ALDH1A1GLAMAPTKDM4ECYP3A4 | |
| SCHEMBL1984035 | 0.71 | BRD4 (0.56) | ALDH1A1GLAMAPTCTDSP1GRM1 | |
| SCHEMBL12737809 | 0.71 | ALDH1A1 (0.42) | ALDH1A1GLAMAPTCTDSP1GRM1 | |
| SCHEMBL29448029 | 0.71 | PKM (0.47) | ALDH1A1MAPTCYP3A4CYP2C9TSHR |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20110150833-A1 | BENZOPYRANS AND ANALOGS AS RHO KINASE INHIBITORS | THE SCRIPPS RESEARCH INSTITUTE (US) | 2011-06-23 | — | — | US | disclosed |
| EP-2234618-A1 | BENZOPYRANS AND ANALOGS AS RHO KINASE INHIBITORS | The Scripps Research Institute (US) | 2010-10-06 | — | — | EP | disclosed |
| US-7667053-B2 | Cannabinoid-1 (CB1) receptor antagonists and/or inverse agonists; e.g. N-(2,3-bis(4-chlorophenyl)-1-methylpropyl)-1,4-benzodioxane-2-carboxamide; psychological disorders, eating disorders | MERCK & CO., INC. (US) | 2010-02-23 | — | — | US | disclosed |
| WO-2009079008-A1 | BENZOPYRANS AND ANALOGS AS RHO KINASE INHIBITORS | FENG YANGBO (US) | 2009-06-25 | — | — | WO | disclosed |
| EP-1499306-A4 | BICYCLIC AMIDES | MERCK & CO INC (US) | 2007-03-28 | — | — | EP | disclosed |
| US-20050203112-A1 | Bicyclic amides | MERCK SHARP & DOHME CORP. | 2005-09-15 | — | — | US | disclosed |
| EP-1499306-A2 | BICYCLIC AMIDES | Merck & Co., Inc. (US) | 2005-01-26 | — | — | EP | disclosed |
| WO-2003086288-A2 | BICYCLIC AMIDES | MERCK & CO., INC. (US) | 2003-10-23 | — | — | 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-20050203112-A1 | Bicyclic amides | CNR1, CNR2, FAAH | ALDH1A1 3047/4885GLA 1283/4885MAPT 1054/4885 |
| US-20110150833-A1 | BENZOPYRANS AND ANALOGS AS RHO KINASE INHIBITORS | ROCK1, RHOA, RHOT2 | ALDH1A1 1516/4885GLA 1520/4885MAPT 3442/4885 |
“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.