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 | |
|---|---|---|---|---|
| ▸ | ADRA2A known ✓ | P08913 | 12/20 | 0.42 |
| ▸ | ADRA2B known ✓ | P18089 | 11/20 | 0.42 |
| ▸ | ADRA2C known ✓ | P18825 | 11/20 | 0.42 |
| ▸ | ADRA1D | P25100 | 10/20 | 0.42 |
| ▸ | ADRA1A | P35348 | 9/20 | 0.42 |
| ▸ | ADRA1B | P35368 | 9/20 | 0.42 |
| ▸ | HTR7 | P34969 | 2/20 | 0.37 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.36 |
| ▸ | CFB | P00751 | 1/20 | 0.34 |
| ▸ | HTR1D | P28221 | 1/20 | 0.34 |
| ▸ | HTR1B | P28222 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | HTR1A | P08908 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL4639205 | 0.94 | ADRA2A (0.47) | ADRA2AADRA2BADRA2CADRA1DADRA1A | |
| Acetic Acid SCHEMBL4639185 | 0.92 | ADRA2A (0.40) | ADRA2AADRA2BADRA2CADRA1DADRA1A | |
| SCHEMBL4638692 | 0.85 | ADRA2A (0.44) | ADRA2AADRA2BADRA2CADRA1DADRA1A | |
| SCHEMBL6581550 | 0.79 | ADRA2A (0.50) | ADRA2AADRA2BADRA2CADRA1DADRA1A | |
| SCHEMBL8926989 | 0.79 | ADRA2A (0.52) | ADRA2AADRA2BADRA2CADRA1DADRA1A | |
| SCHEMBL6950536 | 0.77 | ADRA2A (0.50) | ADRA2AADRA2BADRA2CADRA1DADRA1A | |
| SCHEMBL6579371 | 0.76 | ADRA2A (0.44) | ADRA2AADRA2BADRA2CADRA1DADRA1A | |
| Hydrochloric Acid SCHEMBL6967227 | 0.76 | ADRA2A (0.49) | ADRA2AADRA2BADRA2CADRA1DADRA1A | |
| SCHEMBL7210059 | 0.75 | ADRA2A (0.46) | ADRA2AADRA2BADRA2CADRA1DADRA1A | |
| SCHEMBL16699532 | 0.75 | ADRA2A (0.40) | ADRA2AADRA2BADRA2CADRA1DADRA1A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2015073736-A1 | METHODS AND COMPOSITIONS FOR TREATING ADHD | ARBOR PHARMACEUTICALS, LLC (US) | 2015-05-21 | — | — | WO | disclosed |
| WO-2015073736-A1 | METHODS AND COMPOSITIONS FOR TREATING ADHD | ARBOR PHARMACEUTICALS, LLC (US) | 2015-05-21 | — | — | WO | disclosed |
| US-20150133516-A1 | Methods and Compositions for Treating ADHD | ARBOR PHARMACEUTICALS, INC. | 2015-05-14 | — | — | US | disclosed |
| US-20150133516-A1 | Methods and Compositions for Treating ADHD | ARBOR PHARMACEUTICALS, INC. | 2015-05-14 | — | — | 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-20150133516-A1 | Methods and Compositions for Treating ADHD | ADRA2C, ADRA2A, ADRB2 | ADRA2A 2/4885ADRA2B 4/4885ADRA2C 1/4885 |
“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.