Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.67 |
| ▸ | NPC1 | O15118 | 2/20 | 0.51 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.51 |
| ▸ | CPA1 | P15085 | 3/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | GSR | P00390 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 3/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.45 |
| ▸ | AOC3 | Q16853 | 3/20 | 0.44 |
| ▸ | CNR1 | P21554 | 1/20 | 0.43 |
| ▸ | CNR2 | P34972 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL6256630 | 1.00 | ALDH1A1 (0.67) | ALDH1A1NPC1ADAM17CPA1LMNA | |
| SCHEMBL1348353 | 1.00 | ALDH1A1 (0.67) | ALDH1A1NPC1ADAM17CPA1LMNA | |
| SCHEMBL17977235 | 0.89 | ALDH1A1 (0.64) | ALDH1A1NPC1ADAM17CPA1LMNA | |
| SCHEMBL27807830 | 0.82 | ALDH1A1 (0.70) | ALDH1A1NPC1LMNAKDM4EMAPT | |
| SCHEMBL27807831 | 0.82 | ALDH1A1 (0.70) | ALDH1A1NPC1LMNAKDM4EMAPT | |
| SCHEMBL9202581 | 0.80 | NPC1 (0.56) | ALDH1A1NPC1ADAM17CPA1KDM4E | |
| SCHEMBL2461328 | 0.80 | ALDH1A1 (0.68) | ALDH1A1NPC1LMNAKDM4EMAPT | |
| SCHEMBL4242515 | 0.80 | ALDH1A1 (1.00) | ALDH1A1NPC1LMNAKDM4EMAPT | |
| SCHEMBL2461281 | 0.80 | ALDH1A1 (0.68) | ALDH1A1NPC1LMNAKDM4EMAPT | |
| SCHEMBL11947918 | 0.80 | ALDH1A1 (0.62) | ALDH1A1NPC1CPA1KDM4EL3MBTL1 |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2555625-B1 | PROCESS FOR PREPARING BENZOXABOROLES | GLAXOSMITHKLINE LLC (US) | 2018-11-14 | — | — | EP | disclosed |
| US-20160168168-A1 | PROCESS FOR PREPARING BENZOXABOROLES | GLAXOSMITHKLINE LLC | 2016-06-16 | — | — | US | disclosed |
| US-9243003-B2 | Process for preparing benzoxaboroles | GLAXOSMITHKLINE LLC (US) | 2016-01-26 | — | — | US | disclosed |
| CN-104311424-A | Optically pure beta-nitroalcohol derivatives and synthesis method thereof | JINGCHU UNIVERSITY OF TECHNOLOGY | 2015-01-28 | — | — | CN | disclosed |
| US-8557726-B2 | Chiral heterogeneous catalyst for assymmetric nitroaldol reaction | COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) | 2013-10-15 | — | — | US | disclosed |
| US-20130096333-A1 | Chiral Heterogeneous Catalyst for Assymmetric Nitroaldol Reaction | COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) | 2013-04-18 | — | — | US | disclosed |
| US-20130035501-A1 | PROCESS FOR PREPARING BENZOXABOROLES | GLAXOSMITHKLINE LLC (US) | 2013-02-07 | — | — | US | disclosed |
| US-7205425-B2 | Optically active nitro alcohol derivatives, optically active amino alcohol derivatives, and process for producing thereof | CHISSO CORPORATION (JP) | 2007-04-17 | — | — | US | disclosed |
| US-20070060656-A1 | Optically active nitro alcohol derivatives, optically active amino alcohol derivatives, and process for producing thereof | SHIBASAKI MASAKATSU | 2007-03-15 | — | — | US | disclosed |
| WO-2005073389-A1 | METHOD FOR PRODUCING β-HYDROXY NITRO COMPOUNDS MADE FROM ALDEHYDES AND NITROALKANES WHILE USING A HYDROXY NITRILE LYASE | ANGEWANDTE BIOKATALYSE-KOMPETENZZENTRUM GMBH (AT) | 2005-08-11 | — | — | WO | disclosed |
| US-20050148801-A1 | Optically active nitro alcohol derivatives, optically active amino alcohol derivatives, and process for producing thereof | JNC CORPORATION (JP) | 2005-07-07 | — | — | US | disclosed |
| EP-0947498-B1 | OPTICALLY ACTIVE NITRO ALCOHOL DERIVATIVES, OPTICALLY ACTIVE AMINO ALCOHOL DERIVATIVES, AND PROCESS FOR PREPARING THE SAME | CHISSO CORP (JP) | 2004-09-15 | — | — | EP | disclosed |
| US-6632955-B1 | Optically active 1-substituted phenyl-2-nitro alcohol derivatives which are useful pharmaceutical intermediates. Enantiomotphs active 1-substituted phenyl-2-nitro alcohol derivatives. From these nitro alcohol such as albutramin and | CHISSO CORPORATION (JP) | 2003-10-14 | — | — | US | disclosed |
| US-20020193447-A1 | Optically active nitro alcohol derivatives, optically active amino alcohol derivatives, and process for producing thereof | JNC CORPORATION (JP) | 2002-12-19 | — | — | US | disclosed |
| EP-0947498-A1 | OPTICALLY ACTIVE NITRO ALCOHOL DERIVATIVES, OPTICALLY ACTIVE AMINO ALCOHOL DERIVATES, AND PROCESS FOR PREPARING THE SAME | CHISSO CORPORATION (JP) | 1999-10-06 | — | — | EP | 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 (5 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-20050148801-A1 | Optically active nitro alcohol derivatives, optically active amino alcohol derivatives, and process for producing thereof | ADH1A, ALDH7A1, ADRB1 | ALDH1A1 29/4885NPC1 2041/4885ADAM17 3274/4885 |
| US-20130035501-A1 | PROCESS FOR PREPARING BENZOXABOROLES | CYP1B1, SULT1A1, HAX1 | ALDH1A1 159/4885NPC1 969/4885ADAM17 3737/4885 |
| US-20160168168-A1 | PROCESS FOR PREPARING BENZOXABOROLES | CYP1B1, SULT1A1, HAX1 | ALDH1A1 159/4885NPC1 969/4885ADAM17 3737/4885 |
| US-20070060656-A1 | Optically active nitro alcohol derivatives, optically active amino alcohol derivatives, and process for producing thereof | ADH1A, ALDH7A1, ADRB1 | ALDH1A1 29/4885NPC1 2041/4885ADAM17 3274/4885 |
| US-20020193447-A1 | Optically active nitro alcohol derivatives, optically active amino alcohol derivatives, and process for producing thereof | ADH1A, ALDH7A1, SARM1 | ALDH1A1 24/4885NPC1 2121/4885ADAM17 3463/4885 |
“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.