Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Acetic Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE3A | Q14432 | 1/20 | 0.68 |
| ▸ | MEN1 | O00255 | 2/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.54 |
| ▸ | HBB | P68871 | 2/20 | 0.54 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.54 |
| ▸ | BLM | P54132 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.48 |
| ▸ | VCP | P55072 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.48 |
| ▸ | HPRT1 | P00492 | 9/20 | 0.47 |
| ▸ | PNP | P00491 | 2/20 | 0.40 |
| ▸ | USP2 | O75604 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | EDNRA | P25101 | 1/20 | 0.40 |
| ▸ | HTR2A | P28223 | 1/20 | 0.40 |
| ▸ | RECQL | P46063 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL9788712 | 0.84 | MEN1 (0.61) | PDE3AMEN1KMT2AHBBMAPK1 | |
| Valganciclovir SCHEMBL3237951 | 0.84 | PDE3A (0.95) | PDE3AMEN1KMT2AHBBMAPK1 | |
| Acetic Acid SCHEMBL6840141 | 0.82 | PDE3A (0.79) | PDE3AMEN1KMT2AHBBMAPK1 | |
| SCHEMBL21133232 | 0.82 | MEN1 (0.57) | PDE3AMEN1KMT2AHBBMAPK1 | |
| (R)-Valganciclovir SCHEMBL18040558 | 0.81 | PDE3A (1.00) | PDE3AMEN1KMT2AHBBMAPK1 | |
| (S)-Valganciclovir SCHEMBL22357189 | 0.81 | PDE3A (1.00) | PDE3AMEN1KMT2AHBBMAPK1 | |
| (R)-Valganciclovir SCHEMBL13657988 | 0.81 | PDE3A (1.00) | PDE3AMEN1KMT2AHBBMAPK1 | |
| Valganciclovir SCHEMBL28998 | 0.81 | PDE3A (1.00) | PDE3AMEN1KMT2AHBBMAPK1 | |
| (R)-Valganciclovir SCHEMBL14128569 | 0.80 | PDE3A (0.98) | PDE3AMEN1KMT2AHBBMAPK1 | |
| (R)-Valganciclovir SCHEMBL14128568 | 0.80 | PDE3A (0.98) | PDE3AMEN1KMT2AHBBMAPK1 |
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-20040102462-A1 | 2-(2-amino-1,6-dihydro-6-oxo-purin-9-yl) methoxy-1,3-propanediol derivative | NESTOR JOHN J (US) | 2004-05-27 | — | — | US | disclosed |
| US-20020042424-A1 | 2- (2-amino-1, 6-dihydro-6 -oxo-purin-9 -yl) methoxy-1, 3 -propanediol derivative | ROCHE PALO ALTO LLC | 2002-04-11 | — | — | US | disclosed |
| US-6083953-A | Treating herpes simplex virus or cytomegalovirus infections; valganciclovir hydrochloride in crystalline form; antiviral; oral administration | SYNTEX (U.S.A.) INC. (US) | 2000-07-04 | — | — | US | disclosed |
| US-5856481-A | Synthesis of antiviral agent valganciclovir (2-(2-amino-1,6-dihydro6-oxo-purin-9-yl)methoxy-3-hydroxy-1-propanyl-L-valinate) or salts via deprotection and salt formation | SYNTEX (U.S.A.) INC. (US) | 1999-01-05 | — | — | US | disclosed |
| US-5840891-A | VIRICIDES WITH IMPROVED ABSORPTION | SYNTEX (U.S.A.) INC. (US) | 1998-11-24 | — | — | 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-20020042424-A1 | 2- (2-amino-1, 6-dihydro-6 -oxo-purin-9 -yl) methoxy-1, 3 -propanediol derivative | DPP7, PURB, EIF2AK2 | PDE3A 1270/4885MEN1 850/4885KMT2A 3875/4885 |
| US-20040102462-A1 | 2-(2-amino-1,6-dihydro-6-oxo-purin-9-yl) methoxy-1,3-propanediol derivative | DPP7, PURB, EIF2AK2 | PDE3A 1270/4885MEN1 850/4885KMT2A 3875/4885 |
“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.