Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.56 |
| ▸ | ADRA2A | P08913 | 4/20 | 0.46 |
| ▸ | ADRA2B | P18089 | 4/20 | 0.46 |
| ▸ | ADRA2C | P18825 | 4/20 | 0.46 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.46 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.46 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.46 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.44 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.43 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL666055 | 1.00 | ALDH1A1 (0.56) | ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2A | |
| SCHEMBL129525 | 1.00 | ALDH1A1 (0.56) | ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2A | |
| SCHEMBL28946753 | 0.82 | CYP2C9 (0.40) | ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2A | |
| SCHEMBL66681 | 0.81 | ALDH1A1 (0.60) | ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2A | |
| SCHEMBL2998678 | 0.81 | ALDH1A1 (0.60) | ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2A | |
| SCHEMBL5204752 | 0.81 | ALDH1A1 (0.60) | ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2A | |
| SCHEMBL29114645 | 0.81 | ALDH1A1 (0.39) | ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2A | |
| SCHEMBL1199043 | 0.79 | ALDH1A1 (0.58) | ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2A | |
| SCHEMBL9614515 | 0.79 | ALDH1A1 (0.58) | ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2A | |
| SCHEMBL1199042 | 0.79 | ALDH1A1 (0.58) | ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2A |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2391600-B1 | INTERMEDIATES IN THE ENANTIOSELECTIVE SYNTHESIS OF 3-(AMINOMETHYL)-5-METHYL-HEXANOIC ACID | PROVOST FELLOWS & SCHOLARS COLLEGE OF THE HOLY UNDIVIDED TRINITY OF QUEEN ELIZABETH NEAR DUBLIN (IE) | 2016-01-06 | — | — | EP | disclosed |
| US-8476441-B2 | Intermediates in the enantioselective synthesis of 3-(aminomethyl)-5-methyl-hexanoic acid | THE PROVOST, FELLOWS AND SCHOLARS OF THE COLLEGE OF THE HOLY AND UNDIVIDED TRINITY OF QUEEN ELIZABETH NEAR DUBLIN (IE) | 2013-07-02 | — | — | US | disclosed |
| US-20120046468-A1 | INTERMEDIATES IN THE ENANTIOSELECTIVE SYNTHESIS OF 3-(AMINOMETHYL)-5-METHYL-HEXANOIC ACID | THE PROVOST,FELLOWS AND SCHOLARS OF THE COLLEGE OF THE HOLY LAND AND UNDIVIDED TRINITY OF QUEEN ELIZ (IE) | 2012-02-23 | — | — | US | disclosed |
| EP-2391600-A2 | INTERMEDIATES IN THE ENANTIOSELECTIVE SYNTHESIS OF 3-(AMINOMETHYL)-5-METHYL-HEXANOIC ACID | The Provost, Fellows and Scholars of the College of the Holy and Undivided Trinity of Queen Elizabeth near Dublin (IE) | 2011-12-07 | — | — | EP | disclosed |
| WO-2010086429-A2 | INTERMEDIATES IN THE ENANTIOSELECTIVE SYNTHESIS OF 3-(AMINOMETHYL)-5-METHYL-HEXANOIC ACID | THE PROVOST, FELLOWS AND SCHOLARS OF THE COLLEGE OF THE HOLY AND UNDIVIDED TRINITY OF QUEEN ELIZABETH NEAR DUBLIN (IE) | 2010-08-05 | — | — | WO | disclosed |
| EP-2213659-A1 | Intermediates in the Enantioselective Synthesis of 3-(Aminomethyl)-5-Methyl-Hexanoic Acid | The Provost, Fellows and Scholars of the College of the Holy and Undivided Trinity of Queen Elizabeth near Dublin (IE) | 2010-08-04 | — | — | 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 (1 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-20120046468-A1 | INTERMEDIATES IN THE ENANTIOSELECTIVE SYNTHESIS OF 3-(AMINOMETHYL)-5-METHYL-HEXANOIC ACID | FAAH, ALDH7A1, GABRE | ALDH1A1 232/4885CYP1A2 796/4885CYP2C9 368/4885 |
“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.