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 | |
|---|---|---|---|---|
| ▸ | CHRNB4 known ✓ | P30926 | 3/20 | 0.37 |
| ▸ | CHRNA3 known ✓ | P32297 | 3/20 | 0.37 |
| ▸ | SLC6A1 | P30531 | 2/20 | 0.40 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.40 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.40 |
| ▸ | SLC6A12 | P48065 | 2/20 | 0.40 |
| ▸ | SLC6A11 | P48066 | 2/20 | 0.40 |
| ▸ | SLC6A13 | Q9NSD5 | 2/20 | 0.40 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.40 |
| ▸ | GABRR1 | P24046 | 1/20 | 0.40 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.40 |
| ▸ | CHRNB2 | P17787 | 3/20 | 0.37 |
| ▸ | CHRNA4 | P43681 | 3/20 | 0.37 |
| ▸ | GBA1 | P04062 | 5/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.35 |
| ▸ | LCK | P06239 | 1/20 | 0.35 |
| ▸ | FYN | P06241 | 1/20 | 0.35 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.34 |
| ▸ | PYGL | P06737 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL322359 | 0.81 | — | — | |
| Trifluoroacetic Acid SCHEMBL3068420 | 0.79 | SLC6A2 (0.41) | SLC6A1GABRA5GABRB2SLC6A12SLC6A11 | |
| Acetic Acid SCHEMBL27704123 | 0.78 | GABRA5 (0.48) | SLC6A1GABRA5GABRB2SLC6A12SLC6A11 | |
| Acetic Acid SCHEMBL11470469 | 0.73 | — | — | |
| SCHEMBL2911527 | 0.73 | — | — | |
| SCHEMBL6377016 | 0.73 | GBA1 (0.39) | SLC6A1GABRA5GABRB2SLC6A12SLC6A11 | |
| SCHEMBL23997512 | 0.72 | GBA1 (0.34) | GBA1PYGLGBA2GAAGLB1 | |
| SCHEMBL805271 | 0.72 | — | — | |
| Acetic Acid SCHEMBL31438902 | 0.72 | BRD4 (0.42) | SLC6A1GABRA5GABRB2SLC6A12SLC6A11 | |
| Bicarbonate SCHEMBL16500273 | 0.71 | SLC6A1 (0.63) | SLC6A1GABRA5GABRB2SLC6A12SLC6A11 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1961750-B1 | VLA-4 INHIBITORY DRUG | DAIICHI SANKYO CO LTD (JP) | 2013-09-18 | — | — | EP | disclosed |
| US-20130065882-A1 | VLA-4 inhibitory drug | MACHINAGA NOBUO (JP) | 2013-03-14 | — | — | US | disclosed |
| US-20120157437-A1 | VLA-4 INHIBITORY DRUG | DAIICHI SANKYO COMPANY, LIMITED (JP) | 2012-06-21 | — | — | US | disclosed |
| US-8129366-B2 | VLA-4 inhibitory drug | DAIICHI SANKYO COMPANY, LIMITED (JP) | 2012-03-06 | — | — | US | disclosed |
| US-20090233901-A1 | VLA-4 INHIBITORY DRUG | DAIICHI SANKYO COMPANY, LIMITED (JP) | 2009-09-17 | — | — | US | disclosed |
| EP-1961750-A1 | VLA-4 INHIBITORY DRUG | Daiichi Sankyo Company, Limited (JP) | 2008-08-27 | — | — | 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 (3 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-20120157437-A1 | VLA-4 INHIBITORY DRUG | VCAM1, ITGB4, ITGA4 | CHRNB4 1649/4885CHRNA3 2429/4885SLC6A1 1297/4885 |
| US-20130065882-A1 | VLA-4 inhibitory drug | VCAM1, ITGB4, ITGA4 | CHRNB4 1728/4885CHRNA3 2359/4885SLC6A1 1413/4885 |
| US-20090233901-A1 | VLA-4 INHIBITORY DRUG | VCAM1, ITGB4, ITGA4 | CHRNB4 2014/4885CHRNA3 2800/4885SLC6A1 738/4885 |
“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.