Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.56 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.48 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | CES2 | O00748 | 1/20 | 0.47 |
| ▸ | CES1 | P23141 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.47 |
| ▸ | MEN1 | O00255 | 3/20 | 0.47 |
| ▸ | NPC1 | O15118 | 3/20 | 0.47 |
| ▸ | RAB9A | P51151 | 3/20 | 0.47 |
| ▸ | POLB | P06746 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 2/20 | 0.44 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.44 |
| ▸ | ATM | Q13315 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL159213 | 0.79 | ALDH1A1 (0.69) | ALDH1A1CYP3A4TDP1L3MBTL1LMNA | |
| SCHEMBL30283 | 0.77 | ALDH1A1 (0.67) | ALDH1A1CYP3A4TDP1L3MBTL1LMNA | |
| SCHEMBL8348384 | 0.77 | ALDH1A1 (0.61) | ALDH1A1CYP3A4TDP1L3MBTL1LMNA | |
| SCHEMBL8916696 | 0.76 | ALDH1A1 (0.65) | ALDH1A1CYP3A4TDP1L3MBTL1LMNA | |
| Water SCHEMBL9512888 | 0.76 | ALDH1A1 (0.65) | ALDH1A1CYP3A4TDP1L3MBTL1LMNA | |
| SCHEMBL5532462 | 0.76 | KLK7 (0.46) | CES2CES1KMT2AMEN1KLK7 | |
| SCHEMBL941358 | 0.74 | ALDH1A1 (0.54) | ALDH1A1CYP3A4TDP1L3MBTL1LMNA | |
| SCHEMBL4455132 | 0.74 | ALDH1A1 (0.62) | ALDH1A1CYP3A4TDP1L3MBTL1LMNA | |
| SCHEMBL10018352 | 0.74 | ALDH1A1 (0.68) | ALDH1A1CYP3A4TDP1L3MBTL1LMNA | |
| SCHEMBL8166476 | 0.74 | ALDH1A1 (0.62) | ALDH1A1CYP3A4TDP1L3MBTL1LMNA |
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-8372985-B2 | Process of making α-aminooxyketone/α-aminooxyaldehyde and α-hydroxyketone/α-hydroxyaldehyde compounds and a process of making reaction products from cyclic α, β-unsaturated ketone substrates and nitroso substrates | JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) | 2013-02-12 | — | — | US | disclosed |
| US-20120302792-A1 | PROCESS OF MAKING ALPHA-AMINOOXYKETONE/ALPHA-AMINOOXYALDEHYDE AND ALPHA-HYDROXYKETONE/ALPHA-HYDROXYALDEHYDE COMPOUNDS AND A PROCESS MAKING REACTION PRODUCTS FROM CYCLIC ALPHA, BETA-UNSATURATED KETONE SUBSTRATES AND NITROSO SUBSTRATES | JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) | 2012-11-29 | — | — | US | disclosed |
| US-8252941-B2 | Process of making alpha-aminooxyketone/alpha-aminooxyaldehyde and alpha-hydroxyketone/alpha-hydroxyaldehyde compounds and a process making reaction products from cyclic alpha, beta-unsaturated ketone substrates and nitroso substrates | JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) | 2012-08-28 | — | — | US | disclosed |
| US-7872123-B2 | Process of making α-aminooxyketone/α-aminooxyaldehyde and α-hydroxyketone/α-hydroxyaldehyde compounds and a process making reaction products from cyclic α,β-unsaturated ketone substrates and nitroso substrates | JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) | 2011-01-18 | — | — | US | disclosed |
| US-20100099915-A1 | PROCESS OF MAKING ALPHA-AMINOOXYKETONE/ALPHA-AMINOOXYALDEHYDE AND ALPHA-HYDROXYKETONE/ALPHA-HYDROXYALDEHYDE COMPOUNDS AND A PROCESS MAKING REACTION PRODUCTS FROM CYCLIC ALPHA, BETA-UNSATURATED KETONE SUBSTRATES AND NITROSO SUBSTRATES | JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) | 2010-04-22 | — | — | US | disclosed |
| US-20070055081-A1 | Processes for production of alpha-aminooxyketones and alpha-hydroxyketones | JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) | 2007-03-08 | — | — | US | disclosed |
| US-20070037973-A1 | reacting a cyclic alpha , beta -unsaturated ketone compound with a nitroso compound in the presence of a proline-based catalyst to provide 7-Phenyl-6-oxa-7-aza-bicyclo[3.2.2]nonan-9-one or derivatives; catalytic asymmetric O-nitroso Aldol/Michael reaction | JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) | 2007-02-15 | — | — | US | disclosed |
| EP-1717221-A1 | PROCESSES FOR PRODUCTION OF ALPHA-AMINOOXYKETONES AND ALPHA-HYDROXYKETONES | Japan Science and Technology Agency (JP) | 2006-11-02 | — | — | 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 (4 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-20070037973-A1 | reacting a cyclic alpha , beta -unsaturated ketone compound with a nitroso compound in the presence of a proline-based catalyst to provide 7-Phenyl-6-oxa-7-aza-bicyclo[3.2.2]nonan-9-one or derivatives; catalytic asymmetric O-nitroso Aldol/Michael reaction | XDH, PDXK, AOX1 | ALDH1A1 103/4885CYP3A4 343/4885TDP1 4086/4885 |
| US-20070055081-A1 | Processes for production of alpha-aminooxyketones and alpha-hydroxyketones | KHK, HCCS, XDH | ALDH1A1 2256/4885CYP3A4 231/4885TDP1 4500/4885 |
| US-20100099915-A1 | PROCESS OF MAKING ALPHA-AMINOOXYKETONE/ALPHA-AMINOOXYALDEHYDE AND ALPHA-HYDROXYKETONE/ALPHA-HYDROXYALDEHYDE COMPOUNDS AND A PROCESS MAKING REACTION PRODUCTS FROM CYCLIC ALPHA, BETA-UNSATURATED KETONE SUBSTRATES AND NITROSO SUBSTRATES | XDH, QSOX1, KMO | ALDH1A1 113/4885CYP3A4 300/4885TDP1 3961/4885 |
| US-20120302792-A1 | PROCESS OF MAKING ALPHA-AMINOOXYKETONE/ALPHA-AMINOOXYALDEHYDE AND ALPHA-HYDROXYKETONE/ALPHA-HYDROXYALDEHYDE COMPOUNDS AND A PROCESS MAKING REACTION PRODUCTS FROM CYCLIC ALPHA, BETA-UNSATURATED KETONE SUBSTRATES AND NITROSO SUBSTRATES | XDH, AOX1, QSOX1 | ALDH1A1 135/4885CYP3A4 252/4885TDP1 3737/4885 |
“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.