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 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.72 |
| ▸ | OPRL1 | P41146 | 2/20 | 0.61 |
| ▸ | POLB | P06746 | 1/20 | 0.60 |
| ▸ | CCR3 | P51677 | 2/20 | 0.59 |
| ▸ | DRD2 | P14416 | 2/20 | 0.58 |
| ▸ | MEN1 | O00255 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.53 |
| ▸ | KCNA3 | P22001 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL8097585 | 0.93 | SIGMAR1 (0.82) | SIGMAR1OPRL1POLBCCR3DRD2 | |
| SCHEMBL8099056 | 0.85 | SIGMAR1 (0.67) | SIGMAR1OPRL1POLBCCR3DRD2 | |
| SCHEMBL5175622 | 0.84 | SIGMAR1 (0.69) | SIGMAR1OPRL1POLBCCR3DRD2 | |
| SCHEMBL8096481 | 0.84 | SIGMAR1 (1.00) | SIGMAR1OPRL1POLBCCR3DRD2 | |
| SCHEMBL27563251 | 0.83 | SIGMAR1 (0.68) | SIGMAR1OPRL1POLBCCR3DRD2 | |
| SCHEMBL27582059 | 0.83 | CCR3 (0.82) | SIGMAR1OPRL1POLBCCR3DRD2 | |
| SCHEMBL8497244 | 0.82 | DRD2 (0.64) | SIGMAR1OPRL1POLBDRD2MEN1 | |
| SCHEMBL7289267 | 0.82 | SIGMAR1 (0.53) | SIGMAR1MEN1KMT2A | |
| Hydrochloric Acid SCHEMBL11534819 | 0.81 | DRD2 (0.63) | SIGMAR1OPRL1POLBDRD2MEN1 | |
| SCHEMBL614396 | 0.80 | DRD3 (0.52) | SIGMAR1DRD2MEN1KMT2AKCNA3 |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8779090-B2 | Methods and compositions for the treatment of heart failure and other disorders | IRONWOOD PHARMACEUTICALS, INC. (US) | 2014-07-15 | — | — | US | disclosed |
| EP-2650303-A1 | Methods and compositions for the treatment of heart failure and other disorders | Ironwood Pharmaceuticals, Inc. (US) | 2013-10-16 | — | — | EP | disclosed |
| US-20120283411-A9 | METHODS AND COMPOSITIONS FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS | IRONWOOD PHARMACEUTICALS, INC. (US) | 2012-11-08 | — | — | US | disclosed |
| US-20120088902-A1 | METHODS AND COMPOSITIONS FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS | IRONWOOD PHARMACEUTICALS, INC. (US) | 2012-04-12 | — | — | US | disclosed |
| US-20120040892-A9 | Methods and Compositions for the Treatment of Heart Failure and Other Disorders | WELLS FARGO BANK, NATIONAL ASSOCIATION | 2012-02-16 | — | — | US | disclosed |
| US-20110021419-A1 | Methods and Compositions for the Treatment of Heart Failure and Other Disorders | Ironwood Pharmaceuticals Inc. | 2011-01-27 | — | — | US | disclosed |
| US-20090305993-A1 | METHODS AND COMPOSITION FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS | IRONWOOD PHARMACEUTICALS, INC. (US) | 2009-12-10 | — | — | US | disclosed |
| EP-2129683-A2 | METHODS AND COMPOSITIONS FOR THE TREATMENT OF HEART FAILURE AND OTHER DISORDERS | Ironwood Pharmaceuticals, Inc. (US) | 2009-12-09 | — | — | EP | disclosed |
| US-20090192083-A1 | METHODS AND COMPOSITIONS FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS | IRONWOOD PHARMACEUTICALS, INC. | 2009-07-30 | — | — | US | disclosed |
| EP-1996218-A2 | METHODS AND COMPOSITIONS FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS | Ironwood Pharmaceuticals, Inc. (US) | 2008-12-03 | — | — | EP | disclosed |
| WO-2008106429-A2 | METHODS AND COMPOSITIONS FOR THE TREATMENT OF HEART FAILURE AND OTHER DISORDERS | IRONWOOD PHARMACEUTICALS, INC. (US) | 2008-09-04 | — | — | WO | disclosed |
| WO-2008002971-A2 | METHODS AND COMPOSITIONS FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS | MICROBIA, INC. (US) | 2008-01-03 | — | — | WO | disclosed |
| WO-2007101161-A2 | METHODS AND COMPOSITIONS FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS | IRONWOOD PHARMACEUTICALS, INC. (US) | 2007-09-07 | — | — | 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-20110021419-A1 | Methods and Compositions for the Treatment of Heart Failure and Other Disorders | GCGR, GCG, GIPR | SIGMAR1 575/4885OPRL1 83/4885POLB 4577/4885 |
| US-20120040892-A9 | Methods and Compositions for the Treatment of Heart Failure and Other Disorders | GCGR, GCG, GIPR | SIGMAR1 575/4885OPRL1 83/4885POLB 4577/4885 |
| US-20120088902-A1 | METHODS AND COMPOSITIONS FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS | GRPR, GCGR, GIPR | SIGMAR1 154/4885OPRL1 15/4885POLB 2079/4885 |
| US-20120283411-A9 | METHODS AND COMPOSITIONS FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS | GRPR, GCGR, GIPR | SIGMAR1 154/4885OPRL1 15/4885POLB 2079/4885 |
| US-20090192083-A1 | METHODS AND COMPOSITIONS FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS | GRPR, GCGR, GIPR | SIGMAR1 213/4885OPRL1 27/4885POLB 1772/4885 |
| US-20090305993-A1 | METHODS AND COMPOSITION FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS | GIPR, VIP, GCGR | SIGMAR1 981/4885OPRL1 273/4885POLB 3254/4885 |
“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.