Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.61 |
| ▸ | CA2 | P00918 | 5/20 | 0.61 |
| ▸ | L3MBTL1 | Q9Y468 | 5/20 | 0.61 |
| ▸ | CA1 | P00915 | 4/20 | 0.61 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.61 |
| ▸ | GLA | P06280 | 1/20 | 0.61 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.57 |
| ▸ | CA9 | Q16790 | 2/20 | 0.57 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.57 |
| ▸ | CA12 | O43570 | 1/20 | 0.57 |
| ▸ | LMNA | P02545 | 3/20 | 0.55 |
| ▸ | S100B | P04271 | 1/20 | 0.48 |
| ▸ | MAOA | P21397 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 5/20 | 0.45 |
| ▸ | MEN1 | O00255 | 4/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.45 |
| ▸ | THRB | P10828 | 3/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL60000 | 0.97 | ALDH1A1 (0.63) | ALDH1A1CA2L3MBTL1CA1KDM4E | |
| SCHEMBL13084384 | 0.97 | ALDH1A1 (0.63) | ALDH1A1CA2L3MBTL1CA1KDM4E | |
| SCHEMBL59999 | 0.97 | ALDH1A1 (0.63) | ALDH1A1CA2L3MBTL1CA1KDM4E | |
| SCHEMBL9685935 | 0.95 | ALDH1A1 (0.61) | ALDH1A1CA2L3MBTL1CA1KDM4E | |
| SCHEMBL1374708 | 0.95 | ALDH1A1 (0.61) | ALDH1A1CA2L3MBTL1CA1KDM4E | |
| Water SCHEMBL15846002 | 0.95 | ALDH1A1 (0.61) | ALDH1A1CA2L3MBTL1CA1KDM4E | |
| SCHEMBL28312209 | 0.95 | ALDH1A1 (0.61) | ALDH1A1CA2L3MBTL1CA1KDM4E | |
| SCHEMBL340770 | 0.95 | ALDH1A1 (0.61) | ALDH1A1CA2L3MBTL1CA1KDM4E | |
| SCHEMBL22577661 | 0.95 | ALDH1A1 (0.61) | ALDH1A1CA2L3MBTL1CA1KDM4E | |
| Fluoride SCHEMBL28271051 | 0.95 | ALDH1A1 (0.61) | ALDH1A1CA2L3MBTL1CA1KDM4E |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108069939-B | Compound containing conjugated dienamide structure, preparation method, pharmaceutical composition and application thereof | 中国科学院上海药物研究所 | 2020-03-10 | — | — | CN | disclosed |
| CN-108069939-A | Compound, its preparation method, pharmaceutical composition and purposes containing conjugation connection acrylamide structure | 中国科学院上海药物研究所 | 2018-05-25 | — | — | CN | disclosed |
| US-20150238485-A1 | OXIME-SUBSTITUTED QUINOXALINE-TYPE PIPERIDINE COMPOUNDS AS ORL-1 MODULATORS | SHIONOGI & CO., LTD. (JP) | 2015-08-27 | — | — | US | disclosed |
| US-9040533-B2 | Oxime-substituted-quinoxaline-type piperidine compounds as ORL-1 modulators | PURDUE PHARMA L.P. (US) | 2015-05-26 | — | — | US | disclosed |
| WO-2014102592-A2 | OXIME/SUBSTITUTED QUINOXALINE-TYPE PIPERIDINE COMPOUNDS AND USES THEREOF | PURDUE PHARMA L.P. (US) | 2014-07-03 | — | — | WO | disclosed |
| US-20140187544-A1 | OXIME-SUBSTITUTED-QUINOXALINE-TYPE PIPERIDINE COMPOUNDS AND USES THEREOF | SHIONOGI & CO., LTD. (JP) | 2014-07-03 | — | — | US | disclosed |
| EP-1836212-B1 | MACROLIDE COMPOUNDS CONTAINING BIOTIN AND PHOTO-AFFINITY GROUP FOR MACROLIDE TARGET IDENTIFICATION | GLAXO GROUP LTD (GB) | 2011-09-07 | — | — | EP | disclosed |
| US-7989600-B2 | Bioconjugation; drug screening | GLAXOSMITHKLINE ISTRAZIVACKI CENTAR ZAGREB D.O.O. | 2011-08-02 | — | — | US | disclosed |
| US-20080241959-A1 | Macrolide Compounds Containing Biotin and Photo-Affinity Group for Macrolide Target Identification | GLAXOSMITHKLINE ISTRAZIVACKI CENTAR ZAGREB D.O.O. (HR) | 2008-10-02 | — | — | US | disclosed |
| EP-1836212-A1 | MACROLIDE COMPOUNDS CONTAINING BIOTIN AND PHOTO-AFFINITY GROUP FOR MACROLIDE TARGET IDENTIFICATION | GlaxoSmithKline istrazivacki centar Zagreb d.o.o. (HR) | 2007-09-26 | — | — | EP | disclosed |
| WO-2006106440-A1 | MACROLIDE COMPOUNDS CONTAINING BIOTIN AND PHOTO-AFFINITY GROUP FOR MACROLIDE TARGET IDENTIFICATION | GLAXOSMITHKLINE ISTRAZIVACKI CENTAR ZAGREB D.O.O. (US) | 2006-10-12 | — | — | 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 (3 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-20080241959-A1 | Macrolide Compounds Containing Biotin and Photo-Affinity Group for Macrolide Target Identification | BTD, HLCS, MRPL12 | ALDH1A1 4489/4885CA2 4790/4885L3MBTL1 1387/4885 |
| US-20150238485-A1 | OXIME-SUBSTITUTED QUINOXALINE-TYPE PIPERIDINE COMPOUNDS AS ORL-1 MODULATORS | OPRL1, OGFRL1, OPRD1 | ALDH1A1 110/4885CA2 731/4885L3MBTL1 279/4885 |
| US-20140187544-A1 | OXIME-SUBSTITUTED-QUINOXALINE-TYPE PIPERIDINE COMPOUNDS AND USES THEREOF | QSOX1, OPRK1, OPRD1 | ALDH1A1 221/4885CA2 631/4885L3MBTL1 1254/4885 |
“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.