Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.68 |
| ▸ | GAA | P10253 | 1/20 | 0.68 |
| ▸ | TSHR | P16473 | 1/20 | 0.65 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.58 |
| ▸ | TLR4 | O00206 | 1/20 | 0.57 |
| ▸ | CTSL | P07711 | 1/20 | 0.55 |
| ▸ | CTSB | P07858 | 1/20 | 0.55 |
| ▸ | CTSK | P43235 | 1/20 | 0.55 |
| ▸ | DPP4 | P27487 | 3/20 | 0.53 |
| ▸ | DPP7 | Q9UHL4 | 3/20 | 0.53 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.53 |
| ▸ | CPB1 | P15086 | 2/20 | 0.52 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.50 |
| ▸ | KDM1A | O60341 | 1/20 | 0.50 |
| ▸ | MAOB | P27338 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | CA1 | P00915 | 1/20 | 0.50 |
| ▸ | CA2 | P00918 | 1/20 | 0.50 |
| ▸ | ACHE | P22303 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL4754108 | 1.00 | ALDH1A1 (0.68) | ALDH1A1GAATSHREPHX1TLR4 | |
| SCHEMBL3547532 | 1.00 | ALDH1A1 (0.68) | ALDH1A1GAATSHREPHX1TLR4 | |
| SCHEMBL29248519 | 1.00 | ALDH1A1 (0.68) | ALDH1A1GAATSHREPHX1TLR4 | |
| SCHEMBL14905635 | 1.00 | ALDH1A1 (0.68) | ALDH1A1GAATSHREPHX1TLR4 | |
| SCHEMBL2206808 | 0.92 | EPHX1 (0.62) | ALDH1A1GAATSHREPHX1TLR4 | |
| SCHEMBL21677225 | 0.92 | EPHX1 (0.62) | ALDH1A1GAATSHREPHX1TLR4 | |
| SCHEMBL15046804 | 0.92 | EPHX1 (0.66) | ALDH1A1GAATSHREPHX1TLR4 | |
| SCHEMBL22042534 | 0.92 | EPHX1 (0.62) | ALDH1A1GAATSHREPHX1TLR4 | |
| SCHEMBL19619011 | 0.92 | EPHX1 (0.62) | ALDH1A1GAATSHREPHX1TLR4 | |
| SCHEMBL851220 | 0.91 | ALDH1A1 (0.76) | ALDH1A1GAATSHREPHX1TLR4 |
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 |
|---|---|---|---|---|---|---|---|
| US-20250145632-A1 | Pyrimidine Heterocyclic Compound, Preparation Method Thereof and use Thereof in Medicine | INSILICO MEDICINE IP LIMITED (HK) | 2025-05-08 | — | — | US | disclosed |
| EP-4455132-A1 | PYRIMIDINE HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF IN MEDICINE | Insilico Medicine IP Limited (HK) | 2024-10-30 | — | — | EP | disclosed |
| WO-2023116761-A1 | PYRIMIDINE HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF IN MEDICINE | 英矽智能科技知识产权有限公司 | 2023-06-29 | — | — | WO | disclosed |
| US-20220273659-A1 | HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS | NUVATION BIO OPERATING COMPANY LLC | 2022-09-01 | — | — | US | disclosed |
| EP-3993802-A1 | HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS | Nuvation Bio Inc. (US) | 2022-05-11 | — | — | EP | disclosed |
| WO-2021003314-A1 | HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS | NUVATION BIO INC. (US) | 2021-01-07 | — | — | WO | disclosed |
| US-7888376-B2 | Cholesteryl ester transfer protein (CETP) inhibitors; atherosclerosis and cardiovascular diseases; N-(1-(5-chloropyridin-2-yl)-1-(3-fluoro-5-(trifluoromethyl)phenyl)-2-phenylethyl)-4-(trifluoromethyl)thiazol-2-amine; Alzheimer's, atherosclerosis, venous thrombosis, peripheral vascular disease | BRISTOL-MYERS SQUIBB COMPANY (US) | 2011-02-15 | — | — | US | disclosed |
| US-7888376-B2 | Cholesteryl ester transfer protein (CETP) inhibitors; atherosclerosis and cardiovascular diseases; N-(1-(5-chloropyridin-2-yl)-1-(3-fluoro-5-(trifluoromethyl)phenyl)-2-phenylethyl)-4-(trifluoromethyl)thiazol-2-amine; Alzheimer's, atherosclerosis, venous thrombosis, peripheral vascular disease | BRISTOL-MYERS SQUIBB COMPANY (US) | 2011-02-15 | — | — | US | disclosed |
| US-7888376-B2 | Cholesteryl ester transfer protein (CETP) inhibitors; atherosclerosis and cardiovascular diseases; N-(1-(5-chloropyridin-2-yl)-1-(3-fluoro-5-(trifluoromethyl)phenyl)-2-phenylethyl)-4-(trifluoromethyl)thiazol-2-amine; Alzheimer's, atherosclerosis, venous thrombosis, peripheral vascular disease | BRISTOL-MYERS SQUIBB COMPANY (US) | 2011-02-15 | — | — | US | disclosed |
| EP-1951673-A2 | HETEROCYCLIC CETP INHIBITORS | Bristol-Myers Squibb Company (US) | 2008-08-06 | — | — | EP | disclosed |
| WO-2007062314-A2 | HETEROCYCLIC CETP INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2007-05-31 | — | — | WO | disclosed |
| WO-2007062314-A2 | HETEROCYCLIC CETP INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2007-05-31 | — | — | WO | disclosed |
| US-7160907-B2 | Pleuromutilin derivatives | SMITHKLINE BEECHAM P.L.C. (GB) | 2007-01-09 | — | — | US | disclosed |
| EP-1538150-A1 | NOVEL PLEUROMUTILIN DERIVATIVES | SMITHKLINE BEECHAM PLC (GB) | 2005-06-08 | — | — | EP | disclosed |
| EP-1351959-B1 | NOVEL PLEUROMUTILIN DERIVATIVES | SMITHKLINE BEECHAM PLC (GB) | 2005-06-01 | — | — | EP | disclosed |
| US-6900345-B2 | Pleuromutilin derivatives | SMITHKLINE BEECHAM P.L.C. (GB) | 2005-05-31 | — | — | US | disclosed |
| US-20050096357-A1 | Novel pleuromutilin derivatives | SMITHKLINE BEECHAM P.L.C. | 2005-05-05 | — | — | US | disclosed |
| US-20040024059-A1 | Novel pleuromutilin derivatives | SMITHKLINE BEECHAM P.L.C. (GB) | 2004-02-05 | — | — | US | disclosed |
| EP-1351959-A1 | NOVEL PLEUROMUTILIN DERIVATIVES | SMITHKLINE BEECHAM PLC (GB) | 2003-10-15 | — | — | EP | disclosed |
| WO-2002030929-A1 | NOVEL PLEUROMUTILIN DERIVATIVES | SMITHKLINE BEECHAM P.L.C. (GB) | 2002-04-18 | — | — | 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 (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-20040024059-A1 | Novel pleuromutilin derivatives | PLEC, MLNR, FABP2 | ALDH1A1 1651/4885GAA 1204/4885TSHR 2343/4885 |
| US-20250145632-A1 | Pyrimidine Heterocyclic Compound, Preparation Method Thereof and use Thereof in Medicine | DPYD, TYMP, NUDT1 | ALDH1A1 786/4885GAA 1949/4885TSHR 3401/4885 |
| US-20050096357-A1 | Novel pleuromutilin derivatives | FABP2, PLEC, MLNR | ALDH1A1 2307/4885GAA 1541/4885TSHR 2330/4885 |
| US-20220273659-A1 | HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS | CDK4, CDK6, CDK8 | ALDH1A1 2992/4885GAA 2341/4885TSHR 3562/4885 |
“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.