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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | RBP4 | P02753 | 2/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | GAA | P10253 | 2/20 | 0.35 |
| ▸ | RXRA | P19793 | 1/20 | 0.35 |
| ▸ | RXRB | P28702 | 1/20 | 0.35 |
| ▸ | RXRG | P48443 | 1/20 | 0.35 |
| ▸ | HBB | P68871 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | BCHE | P06276 | 1/20 | 0.33 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.33 |
| ▸ | AKR1C2 | P52895 | 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 | |
|---|---|---|---|---|
| SCHEMBL21798723 | 0.89 | ALDH1A1 (0.43) | ALDH1A1TDP1TSHRCA2NPSR1 | |
| Acetic Acid SCHEMBL27880107 | 0.85 | ALDH1A1 (0.45) | ALDH1A1TDP1TSHRATMRBP4 | |
| Trifluoromethanesulfonic Acid SCHEMBL8736614 | 0.80 | ALDH1A1 (0.39) | ALDH1A1TDP1TSHRRBP4CA2 | |
| Acetic Acid SCHEMBL4843573 | 0.76 | CA2 (0.38) | ALDH1A1TDP1TSHRATMRBP4 | |
| SCHEMBL1194484 | 0.76 | ALDH1A1 (0.55) | ALDH1A1TDP1TSHRATMCA2 | |
| Acetic Acid SCHEMBL28350220 | 0.73 | CES2 (0.46) | ALDH1A1TDP1TSHRKDM4EHSD17B10 | |
| Acetic Acid SCHEMBL30434046 | 0.73 | CES2 (0.46) | ALDH1A1TDP1TSHRKDM4EHSD17B10 | |
| SCHEMBL545684 | 0.73 | ALDH1A1 (0.52) | ALDH1A1TDP1TSHRATMCA2 | |
| Phosphine SCHEMBL2238711 | 0.73 | ALDH1A1 (0.52) | ALDH1A1TDP1TSHRATMCA2 | |
| Bicarbonate SCHEMBL27754489 | 0.73 | ALDH1A1 (0.45) | ALDH1A1TDP1TSHRATMRBP4 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7390613-B1 | Photoactive compounds | AZ ELECTRONIC MATERIALS USA CORP. (US) | 2008-06-24 | — | — | US | disclosed |
| US-20080131810-A1 | Photoactive Compounds | MERCK PATENT GMBH (DE) | 2008-06-05 | — | — | 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 (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-20080131810-A1 | Photoactive Compounds | CRY2, AOC2, AFF2 | ALDH1A1 2000/4885TDP1 4477/4885TSHR 3997/4885 |
“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.