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 | |
|---|---|---|---|---|
| ▸ | ADRA2B known ✓ | P18089 | 1/20 | 0.45 |
| ▸ | ESR1 known ✓ | P03372 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.45 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.45 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | CFTR | P13569 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 3/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.38 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.38 |
| ▸ | HMGB1 | P09429 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL872064 | 0.88 | ALDH1A1 (0.56) | ALDH1A1PTGS1TDP1ADRA2BIRAK4 | |
| SCHEMBL13262147 | 0.81 | ALDH1A1 (0.45) | ALDH1A1PTGS1TDP1ADRA2BIRAK4 | |
| SCHEMBL3426863 | 0.80 | ALDH1A1 (0.58) | ALDH1A1PTGS1TDP1ADRA2BIRAK4 | |
| Acetic Acid SCHEMBL8136994 | 0.79 | ALDH1A1 (0.75) | ALDH1A1PTGS1TDP1ADRA2BKMT2A | |
| SCHEMBL21693960 | 0.76 | ALDH1A1 (0.44) | ALDH1A1PTGS1TDP1ADRA2BKMT2A | |
| SCHEMBL1369853 | 0.76 | ALDH1A1 (0.52) | ALDH1A1PTGS1TDP1ADRA2BIRAK4 | |
| SCHEMBL30223435 | 0.76 | ALDH1A1 (0.56) | ALDH1A1PTGS1TDP1ADRA2BIRAK4 | |
| SCHEMBL104725 | 0.76 | ALDH1A1 (0.56) | ALDH1A1PTGS1TDP1ADRA2BIRAK4 | |
| Acetic Acid SCHEMBL3154830 | 0.76 | CYP1A2 (0.61) | ALDH1A1PTGS1TDP1ADRA2BKMT2A | |
| SCHEMBL10584217 | 0.76 | ALDH1A1 (0.52) | ALDH1A1PTGS1TDP1ADRA2BIRAK4 |
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-8652821-B2 | Stabilized protease-containing solutions for purifying RNA-free DNA | BIO-RAD LABORATORIES, INC. (US) | 2014-02-18 | — | — | US | disclosed |
| US-20120100597-A1 | STABILIZED PROTEASE-CONTAINING SOLUTIONS | Bio-Ras Laboratories, Inc. (US) | 2012-04-26 | — | — | US | disclosed |
| WO-2012054613-A2 | STABILIZED PROTEASE-CONTAINING SOLUTIONS | BIO-RAD LABORATORIES, INC. (US) | 2012-04-26 | — | — | WO | disclosed |
| US-7737250-B2 | Peptides for treating axonal damage, inhibition of neurotransmitter release and pain transmission, and blocking calcium influx in neurons | MOUNT SINAI SCHOOL OF MEDICINE OF NEW YORK UNIVERSITY (US) | 2010-06-15 | — | — | US | disclosed |
| US-20060142189-A1 | Methods and agents for treating axonal damage, inhibition of neurotransmitter release and pain transmission, and blocking calcium influx in neurons | MOUNT SINAI SCHOOL OF MEDICINE OF NEW YORK UNIVERSITY (US) | 2006-06-29 | — | — | US | disclosed |
| WO-2004112728-A2 | METHODS AND AGENTS FOR TREATING AXONAL DAMAGE, INHIBITION OF NEUROTRANSMITTER RELEASE AND PAIN TRANSMISSION, AND BLOCKING CALCIUM INFLUX IN NEURONS | MOUNT SINAI SCHOOL OF MEDICINE OF NEW YORK UNIVERSITY (US) | 2004-12-29 | — | — | WO | disclosed |