Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.52 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.48 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.48 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.48 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.48 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.48 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.48 |
| ▸ | FKBP1A | P62942 | 4/20 | 0.47 |
| ▸ | FABP7 | O15540 | 1/20 | 0.46 |
| ▸ | FABP5 | Q01469 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.44 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL2128136 | 0.95 | MCL1 (0.56) | CYP3A4CYP2C9CYP2C19MCL1TSHR | |
| SCHEMBL5319406 | 0.95 | MCL1 (0.56) | CYP3A4CYP2C9CYP2C19MCL1TSHR | |
| SCHEMBL988117 | 0.91 | TSHR (0.51) | CYP3A4CYP2C9CYP2C19TSHRFKBP1A | |
| SCHEMBL6631309 | 0.82 | TSHR (0.47) | CYP3A4CYP2C9CYP2C19TSHRFKBP1A | |
| SCHEMBL25199049 | 0.80 | CYP2C9 (0.45) | CYP3A4CYP2C9CYP2C19MCL1TSHR | |
| SCHEMBL18084809 | 0.80 | SMN1; SMN2 (0.52) | CYP3A4CYP2C9CYP2C19TSHRALDH1A1 | |
| SCHEMBL761819 | 0.79 | ALDH1A1 (0.52) | CYP3A4CYP2C9CYP2C19TSHRFKBP1A | |
| SCHEMBL19815901 | 0.78 | HTR2C (0.46) | CYP3A4CYP2C9CYP2C19TSHRFABP7 | |
| SCHEMBL13319642 | 0.78 | FKBP1A (0.47) | CYP3A4CYP2C9CYP2C19TSHRFKBP1A | |
| SCHEMBL3709845 | 0.78 | TSHR (0.49) | TSHRFKBP1AFABP7FABP5ALDH1A1 |
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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105521826-B | A kind of Zr catalyst and its prepare chiral alpha-hydroxy-beta -one ester compound method | 大连理工大学 | 2018-12-21 | — | — | CN | disclosed |
| US-9701684-B2 | Chiral fluorinating reagents | OXFORD UNIVERSITY INNOVATION LIMITED (GB) | 2017-07-11 | — | — | US | disclosed |
| CN-104230734-B | Synthesis method for alpha-alkylation by visible light catalysis of secondary amine | 中国科学院理化技术研究所 | 2016-06-29 | — | — | CN | disclosed |
| CN-105521826-A | Zirconium catalyst and method for preparing chiral alpha-hydroxy-beta-keto ester compound by use of zirconium catalyst | UNIV DALIAN TECH | 2016-04-27 | — | — | CN | disclosed |
| US-9221819-B2 | Spirocyclic compounds as modulators of chemokine receptor activity | BRISTOL-MYERS SQUIBB COMPANY (US) | 2015-12-29 | — | — | US | disclosed |
| US-9221819-B2 | Spirocyclic compounds as modulators of chemokine receptor activity | BRISTOL-MYERS SQUIBB COMPANY (US) | 2015-12-29 | — | — | US | disclosed |
| US-20150284401-A1 | CHIRAL FLUORINATING REAGENTS | OXFORD UNIVERSITY INNOVATION LIMITED (GB) | 2015-10-08 | — | — | US | disclosed |
| CN-104230734-A | Synthesis method for alpha-alkylation by visible light catalysis of secondary amine | CHINESE ACAD TECH INST PHYSICS | 2014-12-24 | — | — | CN | disclosed |
| US-8877749-B2 | Spirocyclic compounds as modulators of chemokine receptor activity | Bristol-Myers Squibbs Company (US) | 2014-11-04 | — | — | US | disclosed |
| US-8877749-B2 | Spirocyclic compounds as modulators of chemokine receptor activity | Bristol-Myers Squibbs Company (US) | 2014-11-04 | — | — | US | disclosed |
| WO-2011044197-A1 | SPIROCYCLIC COMPOUNDS AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | BRISTOL-MYERS SQUIBB COMPANY (US) | 2011-04-14 | — | — | WO | disclosed |
| US-20100330064-A1 | 2-mercaptocyclopentanecarboxylic acid compounds, a process for their preparation and pharmaceutical compositions containing them | LES LABORATOIRES SERVIER (FR) | 2010-12-30 | — | — | US | disclosed |
| CN-101928241-A | 2-mercaptopentancarboxacid acid derivatives, its preparation method and contain their medicinal compositions | SERVIER LAB | 2010-12-29 | — | — | CN | disclosed |
| US-7332622-B2 | Process for preparing optically active nitro compounds and cyano compounds | KANTO KAGUKU KABUSHIKI KAISHA (JP) | 2008-02-19 | — | — | US | disclosed |
| US-7332622-B2 | Process for preparing optically active nitro compounds and cyano compounds | KANTO KAGUKU KABUSHIKI KAISHA (JP) | 2008-02-19 | — | — | US | disclosed |
| US-6642035-B2 | Synthesis of B-keto esters | THE SCRIPPS RESEARCH INSTITUTE | 2003-11-04 | — | — | US | disclosed |
| US-20020102671-A1 | Synthesis of B-keto esters | SCRIPPS RESEARCH INSTITUTE, THE | 2002-08-01 | — | — | US | disclosed |
| US-4695647-A | RADIOACTIVE MATERIALS | DRUG SCIENCE FOUNDATION (US) | 1987-09-22 | — | — | US | disclosed |
| EP-0217037-A2 | Stable isocyanate/epoxide prepolymers and thermoset polyurethanes produced therefrom | Ashland Oil, Inc. (US) | 1987-04-08 | — | — | EP | disclosed |
| US-4614786-A | Stable isocyanate/epoxide prepolymers and thermoset polyurethanes produced therefrom | ASHLAND OIL INC. (US) | 1986-09-30 | — | — | US | 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 (2 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-20150284401-A1 | CHIRAL FLUORINATING REAGENTS | TIAM1, AFF2, AFF1 | CYP3A4 532/4885CYP2C9 820/4885CYP2C19 752/4885 |
| US-20100330064-A1 | 2-mercaptocyclopentanecarboxylic acid compounds, a process for their preparation and pharmaceutical compositions containing them | CYP2B6, CYP2A6, MC5R | CYP3A4 13/4885CYP2C9 18/4885CYP2C19 68/4885 |
“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.