Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.46 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.46 |
| ▸ | FABP4 | P15090 | 1/20 | 0.46 |
| ▸ | FABP5 | Q01469 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | STING1 | Q86WV6 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | CA7 | P43166 | 1/20 | 0.43 |
| ▸ | CA9 | Q16790 | 1/20 | 0.43 |
| ▸ | CA14 | Q9ULX7 | 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 | |
|---|---|---|---|---|
| SCHEMBL9876858 | 0.90 | MAPK1 (0.58) | MAPK1HSD17B10FABP4FABP5ALDH1A1 | |
| SCHEMBL991380 | 0.87 | KMT2A (0.54) | HSD17B10FABP4FABP5ALDH1A1KDM4E | |
| SCHEMBL29639215 | 0.87 | KMT2A (0.54) | HSD17B10FABP4FABP5ALDH1A1KDM4E | |
| Hydrochloric Acid SCHEMBL2532791 | 0.85 | KMT2A (0.55) | HSD17B10FABP4FABP5ALDH1A1KDM4E | |
| SCHEMBL29674777 | 0.81 | SMN1; SMN2 (0.50) | HSD17B10ALDH1A1KDM4EHPGDKMT2A | |
| SCHEMBL10960520 | 0.81 | MAPK1 (0.44) | MAPK1ALOX5ALDH1A1KDM4EHPGD | |
| SCHEMBL3755885 | 0.81 | MAPK1 (0.56) | MAPK1HSD17B10ALDH1A1KDM4EHPGD | |
| SCHEMBL9867985 | 0.80 | MAPK1 (0.47) | MAPK1HSD17B10FABP4FABP5ALDH1A1 | |
| SCHEMBL9079419 | 0.79 | AKR1B1 (0.52) | HSD17B10FABP4FABP5ALDH1A1KDM4E | |
| SCHEMBL2381169 | 0.78 | CXCL8 (0.56) | MAPK1HSD17B10ALDH1A1KDM4EHPGD |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8461384-B2 | Preparation of amides from an acid and amine for intermediates in the synthesis of morphinans | MALLINCKRODT LLC (US) | 2013-06-11 | — | — | US | disclosed |
| US-8445682-B2 | Preparation of 3,4-dihydroisoquinolines from an acid and an amine | MALLINCKRODT LLC (US) | 2013-05-21 | — | — | US | disclosed |
| US-8232400-B2 | Preparation of 3,4-dihydroisoquinolines in the synthesis of morphinans | MALLINCKRODT LLC (US) | 2012-07-31 | — | — | US | disclosed |
| EP-2177504-A1 | Preparation of amides from an acid and amine for intermediates in the synthesis of morphinans | Mallinckrodt Inc. (US) | 2010-04-21 | — | — | EP | disclosed |
| US-20100063290-A1 | Preparation of 3,4-Dihydroisoquinolines from an Acid and an Amine | MALLINCKRODT PHARMACEUTICALS IRELAND LIMITED (IE) | 2010-03-11 | — | — | US | disclosed |
| EP-2161253-A2 | Process for the preparation of 3,4-dihydroisoquinolines in the synthesis of morphinans | Mallinckrodt Inc. (US) | 2010-03-10 | — | — | EP | disclosed |
| US-20090247760-A1 | Preparation of Amides from an Acid and Amine for Intermediates in the Synthesis of Morphinans | MALLINCKRODT INC. (US) | 2009-10-01 | — | — | US | disclosed |
| US-20090247761-A1 | Preparation of 3,4-Dihydroisoquinolines in the Synthesis of Morphinans | MALLINCKRODT INC. (US) | 2009-10-01 | — | — | US | disclosed |
| EP-2099745-A2 | PREPARATION OF 3,4-DIHYDROISOQUINOLINES FROM AN ACID AND AN AMINE | Mallinckrodt Inc. (US) | 2009-09-16 | — | — | EP | disclosed |
| WO-2008073390-A2 | PREPARATION OF 3,4-DIHYDROISOQUINOLINES FROM AN ACID AND AN AMINE | MALLINCKRODT INC. (US) | 2008-06-19 | — | — | 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-20090247761-A1 | Preparation of 3,4-Dihydroisoquinolines in the Synthesis of Morphinans | PNN, CDKL3, ORAI3 | MAPK1 2241/4885HSD17B10 3664/4885ALOX5 611/4885 |
| US-20100063290-A1 | Preparation of 3,4-Dihydroisoquinolines from an Acid and an Amine | PNN, AOX1, PAM | MAPK1 1672/4885HSD17B10 3258/4885ALOX5 349/4885 |
| US-20090247760-A1 | Preparation of Amides from an Acid and Amine for Intermediates in the Synthesis of Morphinans | PNN, PAM, NPM1 | MAPK1 1810/4885HSD17B10 3789/4885ALOX5 312/4885 |
“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.