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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.71 |
| ▸ | HPGD | P15428 | 2/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.43 |
| ▸ | LMNA | P02545 | 3/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | PKM | P14618 | 2/20 | 0.43 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.41 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.41 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL4810265 | 0.81 | CYP3A4 (0.62) | CYP3A4HPGDALDH1A1SMN1; SMN2RAB9A | |
| SCHEMBL4803167 | 0.76 | CYP3A4 (0.65) | CYP3A4HPGDALDH1A1SMN1; SMN2LMNA | |
| SCHEMBL1031237 | 0.70 | HPGD (0.73) | CYP3A4HPGDALDH1A1SMN1; SMN2KMT2A | |
| SCHEMBL9748739 | 0.69 | CYP3A4 (0.68) | CYP3A4HPGDALDH1A1SMN1; SMN2LMNA | |
| Acetic Acid SCHEMBL10629304 | 0.69 | MAOA (0.52) | CYP3A4ALDH1A1SMN1; SMN2 | |
| SCHEMBL4760053 | 0.69 | CYP3A4 (0.71) | CYP3A4HPGDALDH1A1LMNAKMT2A | |
| SCHEMBL4809767 | 0.68 | CYP3A4 (0.66) | CYP3A4HPGDALDH1A1SMN1; SMN2LMNA | |
| SCHEMBL17582653 | 0.67 | ALDH1A1 (0.66) | CYP3A4HPGDALDH1A1KMT2AMEN1 | |
| SCHEMBL6446786 | 0.67 | CYP3A4 (0.68) | CYP3A4HPGDALDH1A1KMT2AMEN1 | |
| Acetic Acid SCHEMBL11077567 | 0.66 | CYP3A4 (0.63) | CYP3A4ALDH1A1LMNANPC1 |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7361661-B2 | 8-quinolinxanthine and 8-isoquinolinxanthine derivatives as PDE 5 inhibitors | NOVARTIS AG (CH) | 2008-04-22 | — | — | US | disclosed |
| US-20060173181-A1 | 8-Quinolinxanthine and 8-isoquinolinxanthine derivatives as PDE 5 inhibitors | BHALAY GURDIP | 2006-08-03 | — | — | US | disclosed |
| US-20060106214-A1 | 8-Quinolinxanthine and 8-isoquinolinxanthine derivatives as PDE 5 inhibitors | NOVARTIS AG (CH) | 2006-05-18 | — | — | US | disclosed |
| US-7019136-B2 | 8-quinolinxanthine and 8-isoquinolinxanthine derivatives as PDE 5 inhibitors | NOVARTIS, AG (CH) | 2006-03-28 | — | — | US | disclosed |
| US-6919337-B2 | 8-Quinolinxanthine and 8-isoquinolinxanthine derivatives as PDE 5 inhibitors | NOVARTIS, AG (CH) | 2005-07-19 | — | — | US | disclosed |
| US-20050054660-A1 | 8-Quinolinxanthine and 8-isoquinolinxanthine derivatives as PDE 5 inhibitors | BHALAY GURDIP (GB) | 2005-03-10 | — | — | US | disclosed |
| US-20040038996-A1 | 8-Quinolinxanthine and 8-isoquinolinxant hine derivatives as PDE 5 inhibitors | NOVARTIS AG (CH) | 2004-02-26 | — | — | US | disclosed |
| EP-1268480-B1 | 8-QUINOLINXANTHINE AND 8-ISOQUINOLINXANTHINE DERIVATIVES AS PDE 5 INHIBITORS | NOVARTIS AG (CH) | 2003-11-05 | — | — | EP | disclosed |
| US-20030171384-A1 | 8-Quinolinxanthine and 8-isoquinolinxanthine derivatives as pde 5 inhibitors | BHALAY GURDIP (GB) | 2003-09-11 | — | — | US | disclosed |
| US-20030114469-A1 | Combinations | COHEN DAVID SAUL (US) | 2003-06-19 | — | — | US | disclosed |
| EP-1268480-A1 | 8-QUINOLINXANTHINE AND 8-ISOQUINOLINXANTHINE DERIVATIVES AS PDE 5 INHIBITORS | Novartis AG (CH) | 2003-01-02 | — | — | EP | disclosed |
| WO-2001077110-A1 | 8-QUINOLINXANTHINE AND 8-ISOQUINOLINXANTHINE DERIVATIVES AS PDE 5 INHIBITORS | NOVARTIS AG (CH) | 2001-10-18 | — | — | 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 (6 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-20030114469-A1 | Combinations | GPR119, SLC5A1, HMGCR | CYP3A4 1061/4885HPGD 390/4885ALDH1A1 719/4885 |
| US-20060106214-A1 | 8-Quinolinxanthine and 8-isoquinolinxanthine derivatives as PDE 5 inhibitors | PDE5A, PDE3A, PDE2A | CYP3A4 634/4885HPGD 355/4885ALDH1A1 1219/4885 |
| US-20050054660-A1 | 8-Quinolinxanthine and 8-isoquinolinxanthine derivatives as PDE 5 inhibitors | PDE5A, PDE3A, PDE2A | CYP3A4 618/4885HPGD 342/4885ALDH1A1 1076/4885 |
| US-20040038996-A1 | 8-Quinolinxanthine and 8-isoquinolinxant hine derivatives as PDE 5 inhibitors | PDE5A, PDE3A, PDE2A | CYP3A4 730/4885HPGD 251/4885ALDH1A1 585/4885 |
| US-20060173181-A1 | 8-Quinolinxanthine and 8-isoquinolinxanthine derivatives as PDE 5 inhibitors | PDE5A, PDE3A, PDE2A | CYP3A4 618/4885HPGD 342/4885ALDH1A1 1076/4885 |
| US-20030171384-A1 | 8-Quinolinxanthine and 8-isoquinolinxanthine derivatives as pde 5 inhibitors | PDE5A, PDE3A, PDE2A | CYP3A4 1064/4885HPGD 481/4885ALDH1A1 1222/4885 |
“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.