Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CLK4 | Q9HAZ1 | 3/20 | 0.52 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.52 |
| ▸ | HPGDS | O60760 | 4/20 | 0.51 |
| ▸ | GRM5 | P41594 | 1/20 | 0.50 |
| ▸ | BCHE | P06276 | 1/20 | 0.49 |
| ▸ | ACHE | P22303 | 1/20 | 0.49 |
| ▸ | CDC7 | O00311 | 1/20 | 0.49 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.49 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.49 |
| ▸ | PIM1 | P11309 | 1/20 | 0.49 |
| ▸ | PRKACA | P17612 | 1/20 | 0.49 |
| ▸ | CDK2 | P24941 | 1/20 | 0.49 |
| ▸ | GSK3B | P49841 | 1/20 | 0.49 |
| ▸ | HIPK2 | Q9H2X6 | 1/20 | 0.49 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.49 |
| ▸ | IDO1 | P14902 | 1/20 | 0.48 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.47 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.47 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL14961829 | 0.83 | CLK4 (0.61) | CLK4DYRK1AMAP4K4CYP2A6 | |
| SCHEMBL28429062 | 0.83 | HPGDS (0.49) | CLK4HPGDSMAP4K4IDO1TAAR1 | |
| SCHEMBL27095783 | 0.81 | TAAR1 (0.56) | HPGDSIDO1NISCHTAAR1ESR2 | |
| SCHEMBL16719539 | 0.81 | HPGDS (0.47) | HPGDSGRM5MAP4K4IDO1NISCH | |
| SCHEMBL10091170 | 0.79 | HPGDS (0.54) | HPGDSACHEPIM1IDO1 | |
| SCHEMBL31722154 | 0.79 | TAAR1 (0.55) | HPGDSMAP4K4IDO1TAAR1TP53 | |
| SCHEMBL25649075 | 0.79 | NPC1 (0.46) | GRM5BCHEACHETP53KMO | |
| SCHEMBL16719958 | 0.79 | HPGDS (0.40) | CLK4HPGDSGRM5BCHEACHE | |
| SCHEMBL27854208 | 0.79 | KMO (0.44) | HPGDSGRM5BCHEACHEIDO1 | |
| SCHEMBL29637608 | 0.78 | CLK4 (0.57) | CLK4DYRK1ACYP3A4CYP2A6 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105461699-B | Substituted heterocyclic compound and its application method and purposes | 广东东阳光药业有限公司 | 2019-07-09 | — | — | CN | disclosed |
| CN-101646656-B | Pyrimidine hydrazide compounds as PGDS inhibitors | SANOFI AVENTIS SPA | 2013-08-14 | — | — | CN | disclosed |
| CN-101646656-A | Pyrimidine hydrazide compounds as the PGDS inhibitor | SANOFI AVENTIS FR | 2010-02-10 | — | — | CN | disclosed |
| US-20090306038-A1 | 2-Aminopyrimidine derivatives as modulators of the histamine H4 receptor activity | PALAU PHARMA, S.A. (ES) | 2009-12-10 | — | — | US | disclosed |
| WO-1997020827-A1 | FLUOROPHENYL-TRIAZINE AND PYRIMIDINE DERIVATIVES AS COMPOUNDS ACTING ON THE CENTRAL NERVOUS SYSTEM | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 1997-06-12 | — | — | 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 (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-20090306038-A1 | 2-Aminopyrimidine derivatives as modulators of the histamine H4 receptor activity | HRH4, HRH2, HRH3 | CLK4 4558/4885DYRK1A 3466/4885HPGDS 137/4885 |
“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.