Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.60 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.60 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.60 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.60 |
| ▸ | TSHR | P16473 | 2/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.48 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.44 |
| ▸ | ADRA2A | P08913 | 3/20 | 0.42 |
| ▸ | ADRA2B | P18089 | 3/20 | 0.42 |
| ▸ | ADRA2C | P18825 | 3/20 | 0.42 |
| ▸ | ADRA1A | P35348 | 3/20 | 0.42 |
| ▸ | ADRA1D | P25100 | 2/20 | 0.42 |
| ▸ | ADRA1B | P35368 | 2/20 | 0.42 |
| ▸ | HPRT1 | P00492 | 1/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL24017144 | 1.00 | ALDH1A1 (0.60) | ALDH1A1CYP1A2CYP2C9CYP2C19TSHR | |
| SCHEMBL29887508 | 1.00 | ALDH1A1 (0.60) | ALDH1A1CYP1A2CYP2C9CYP2C19TSHR | |
| SCHEMBL2067587 | 1.00 | ALDH1A1 (0.60) | ALDH1A1CYP1A2CYP2C9CYP2C19TSHR | |
| Hydrochloric Acid SCHEMBL30098262 | 0.98 | ALDH1A1 (0.58) | ALDH1A1CYP1A2CYP2C9CYP2C19TSHR | |
| Hydrochloric Acid SCHEMBL14119362 | 0.98 | ALDH1A1 (0.58) | ALDH1A1CYP1A2CYP2C9CYP2C19TSHR | |
| Hydrochloric Acid SCHEMBL19951713 | 0.98 | ALDH1A1 (0.58) | ALDH1A1CYP1A2CYP2C9CYP2C19TSHR | |
| SCHEMBL12101209 | 0.87 | ALDH1A1 (0.52) | ALDH1A1CYP1A2CYP2C9CYP2C19TSHR | |
| SCHEMBL31360342 | 0.87 | ALDH1A1 (0.52) | ALDH1A1CYP1A2CYP2C9CYP2C19TSHR | |
| SCHEMBL25155348 | 0.87 | ALDH1A1 (0.52) | ALDH1A1CYP1A2CYP2C9CYP2C19TSHR | |
| SCHEMBL11817158 | 0.87 | ALDH1A1 (0.52) | ALDH1A1CYP1A2CYP2C9CYP2C19TSHR |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2022175693-A1 | PROCESS | UNIVERSITY COURT OF THE UNIVERSITY OF ST ANDREWS (GB) | 2022-08-25 | — | — | WO | disclosed |
| US-10392353-B2 | Processes for making substituted quinazoline compounds using hydrogen bonding catalysts | MERCK SHARP & DOHME CORP. (US) | 2019-08-27 | — | — | US | disclosed |
| US-9701684-B2 | Chiral fluorinating reagents | OXFORD UNIVERSITY INNOVATION LIMITED (GB) | 2017-07-11 | — | — | US | disclosed |
| WO-2017091453-A1 | NOVEL PROCESSES FOR MAKING SUBSTITUTED QUINAZOLINE COMPOUNDS USING HYDROGEN BONDING CATALYSTS | MERCK SHARP & DOHME CORP. (US) | 2017-06-01 | — | — | WO | disclosed |
| US-20150284401-A1 | CHIRAL FLUORINATING REAGENTS | OXFORD UNIVERSITY INNOVATION LIMITED (GB) | 2015-10-08 | — | — | US | disclosed |
| EP-2914582-A2 | CHIRAL FLUORINATING REAGENTS | Isis Innovation Limited (GB) | 2015-09-09 | — | — | EP | disclosed |
| WO-2014068341-A2 | CHIRAL FLUORINATING REAGENTS | ISIS INNOVATION LIMITED (GB) | 2014-05-08 | — | — | WO | disclosed |
| US-8198488-B2 | Hydrogenation of esters with Ru/bidentate ligands complexes | FIRMENICH SA (CH) | 2012-06-12 | — | — | US | disclosed |
| US-8198488-B2 | Hydrogenation of esters with Ru/bidentate ligands complexes | FIRMENICH SA (CH) | 2012-06-12 | — | — | US | disclosed |
| US-20100286452-A1 | HYDROGENATION OF ESTERS WITH RU/BIDENTATE LIGANDS COMPLEXES | FIRMENICH SA (CH) | 2010-11-11 | — | — | US | disclosed |
| US-20100286452-A1 | HYDROGENATION OF ESTERS WITH RU/BIDENTATE LIGANDS COMPLEXES | FIRMENICH SA (CH) | 2010-11-11 | — | — | US | disclosed |
| EP-2089345-B1 | HYDROGENATION OF ESTERS WITH RU/BIDENTATE LIGANDS COMPLEXES | FIRMENICH & CIE (CH) | 2010-02-24 | — | — | EP | disclosed |
| WO-2008065588-A1 | HYDROGENATION OF ESTERS WITH RU/BIDENTATE LIGANDS COMPLEXES | FIRMENICH SA (CH) | 2008-06-05 | — | — | 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-20100286452-A1 | HYDROGENATION OF ESTERS WITH RU/BIDENTATE LIGANDS COMPLEXES | ADH1A, ADH5, ADH1C | ALDH1A1 783/4885CYP1A2 522/4885CYP2C9 1019/4885 |
| US-20150284401-A1 | CHIRAL FLUORINATING REAGENTS | TIAM1, AFF2, AFF1 | ALDH1A1 800/4885CYP1A2 218/4885CYP2C9 820/4885 |
| US-10392353-B2 | Processes for making substituted quinazoline compounds using hydrogen bonding catalysts | NQO1, NDUFS7, NDUFS2 | ALDH1A1 1056/4885CYP1A2 64/4885CYP2C9 21/4885 |
“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.