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 | |
|---|---|---|---|---|
| ▸ | PNP | P00491 | 4/20 | 0.34 |
| ▸ | NOTUM | Q6P988 | 3/20 | 0.33 |
| ▸ | GABRP | O00591 | 1/20 | 0.33 |
| ▸ | GABRD | O14764 | 1/20 | 0.33 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.33 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.33 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.33 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.33 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.33 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.33 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.33 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.33 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.33 |
| ▸ | GABRE | P78334 | 1/20 | 0.33 |
| ▸ | GABRA6 | Q16445 | 1/20 | 0.33 |
| ▸ | GABRG1 | Q8N1C3 | 1/20 | 0.33 |
| ▸ | GABRG3 | Q99928 | 1/20 | 0.33 |
| ▸ | GABRQ | Q9UN88 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 2/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL8054435 | 0.77 | NOTUM (0.34) | NOTUMHCAR2KDM4ESMN1; SMN2ALDH1A1 | |
| Acetic Acid SCHEMBL11221125 | 0.72 | TP53 (0.33) | NOTUMTP53HCAR2KDM4EKMT2A | |
| SCHEMBL31324235 | 0.68 | NR4A2 (0.34) | PNP | |
| SCHEMBL5151745 | 0.67 | NPC1 (0.32) | NOTUM | |
| SCHEMBL2854030 | 0.67 | NOTUM (0.32) | NOTUM | |
| SCHEMBL3650426 | 0.65 | GABRA5 (0.47) | PNPGABRPGABRDGABRA1GABRB1 | |
| SCHEMBL5864135 | 0.65 | ALDH1A1 (0.40) | NOTUMHCAR2KDM4EALDH1A1 | |
| Bromide SCHEMBL7429002 | 0.65 | NPC1 (0.32) | NOTUM | |
| Acetic Acid SCHEMBL9194364 | 0.63 | CYP1A2 (0.52) | GABRPGABRDGABRA1GABRB1GABRG2 | |
| SCHEMBL31324241 | 0.63 | KDM4E (0.41) | HCAR2KDM4EALDH1A1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20090306116-A1 | PYRIMIDINE DERIVATIVES FOR THE INHIBITION OF IGF-IR TYROSINE KINASE ACTIVITY | ASTRAZENECA AB (SE) | 2009-12-10 | — | — | US | disclosed |
| CN-101304996-A | Pyrimidine Derivatives Inhibiting IGF-1R Tyrosine Kinase Activity | ASTRAZENECA AB (SE) | 2008-11-12 | — | — | CN | disclosed |
| EP-1931662-A1 | PYRIMIDINE DERIVATIVES FOR THE INHIBITION OF IGF-IR TYROSINE KINASE ACTIVITY | AstraZeneca AB (SE) | 2008-06-18 | — | — | EP | disclosed |
| WO-2007031745-A1 | PYRIMIDINE DERIVATIVES FOR THE INHIBITION OF IGF-IR TYROSINE KINASE ACTIVITY | ASTRAZENECA AB (SE) | 2007-03-22 | — | — | WO | disclosed |
| US-4795755-A | ANTISECRETORY, ANTIULCER AGENTS | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1989-01-03 | — | — | US | disclosed |
| EP-0060697-B1 | HETEROCYCLIC DERIVATIVES | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1986-12-30 | — | — | EP | 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-20090306116-A1 | PYRIMIDINE DERIVATIVES FOR THE INHIBITION OF IGF-IR TYROSINE KINASE ACTIVITY | IGF1R, IGFBP1, IRS1 | PNP 193/4885NOTUM 4035/4885GABRP 737/4885 |
“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.