Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | DPP4 | P27487 | 5/20 | 0.35 |
| ▸ | DPP7 | Q9UHL4 | 5/20 | 0.35 |
| ▸ | ERCC1 | P07992 | 1/20 | 0.33 |
| ▸ | FEN1 | P39748 | 1/20 | 0.33 |
| ▸ | ERCC4 | Q92889 | 1/20 | 0.33 |
| ▸ | PDE9A | O76083 | 2/20 | 0.32 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.32 |
| ▸ | AADAT | Q8N5Z0 | 1/20 | 0.32 |
| ▸ | DPP8 | Q6V1X1 | 1/20 | 0.32 |
| ▸ | RNASEH1 | O60930 | 1/20 | 0.32 |
| ▸ | CCR5 | P51681 | 2/20 | 0.31 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.31 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.31 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.31 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.31 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.31 |
| ▸ | GPR6 | P46095 | 1/20 | 0.31 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL1751641 | 1.00 | KCNH2 (0.43) | KCNH2CYP2C9DPP4DPP7ERCC1 | |
| Hydrochloric Acid SCHEMBL1751097 | 0.78 | KCNH2 (0.47) | KCNH2CYP2C9ERCC1FEN1ERCC4 | |
| SCHEMBL1749201 | 0.77 | CYP2C9 (0.71) | KCNH2CYP2C9CCR5 | |
| Trifluoroacetic Acid SCHEMBL1749263 | 0.76 | KCNH2 (0.36) | KCNH2CYP2C9ERCC1FEN1ERCC4 | |
| SCHEMBL1750481 | 0.75 | GAA (0.38) | CYP2C9ERCC1FEN1ERCC4 | |
| SCHEMBL12529332 | 0.72 | KCNH2 (0.39) | KCNH2CYP2C9 | |
| SCHEMBL1750834 | 0.72 | KCNH2 (0.64) | KCNH2CYP2C9ERCC1FEN1ERCC4 | |
| SCHEMBL12529339 | 0.70 | KCNH2 (0.46) | KCNH2CYP2C9 | |
| SCHEMBL2202249 | 0.70 | ALDH1A1 (0.43) | KCNH2CYP2C9ERCC1FEN1ERCC4 | |
| SCHEMBL2206742 | 0.68 | ALDH1A1 (0.42) | KCNH2CYP2C9ERCC1FEN1ERCC4 |
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 |
|---|---|---|---|---|---|---|---|
| US-7968553-B2 | e.g. N-(4-fluorobenzyl)-3-hydroxy-4-oxo-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidine-2-carboxamide; viricide in combination with other HIV/AIDS antivirals, immunomodulators, antibiotics or vaccines; AIDS | ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) | 2011-06-28 | — | — | US | disclosed |
| EP-1578748-B1 | TETRAHYDRO-4H-PYRIDO[1,2-A]PYRIMIDINES AND RELATED COMPOUNDS USEFUL AS HIV INTEGRASE INHIBITORS | ANGELETTI P IST RICHERCHE BIO (IT) | 2010-09-15 | — | — | EP | disclosed |
| US-7414045-B2 | Substituted pyrimido[1,2-a]azepines useful as HIV integrase inhibitors | ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) | 2008-08-19 | — | — | US | disclosed |
| US-20080176869-A1 | Tetrahydro-4H-pyrido[1,2-a] pyrimidines useful as HIV integrase inhibitors | MSD ITALIA S.R.L. (IT) | 2008-07-24 | — | — | US | disclosed |
| US-20060046985-A1 | Tetrahydro--4h-pyrido[1,2-a}pyrimidines and related compounds useful as hiv integrase inhibitors | MSD ITALIA S.R.L. (IT) | 2006-03-02 | — | — | 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-20060046985-A1 | Tetrahydro--4h-pyrido[1,2-a}pyrimidines and related compounds useful as hiv integrase inhibitors | TYMS, TYMP, HPRT1 | KCNH2 3284/4885CYP2C9 754/4885DPP4 646/4885 |
| US-20080176869-A1 | Tetrahydro-4H-pyrido[1,2-a] pyrimidines useful as HIV integrase inhibitors | TYMS, TYMP, DPYD | KCNH2 3301/4885CYP2C9 740/4885DPP4 603/4885 |
“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.