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 | |
|---|---|---|---|---|
| ▸ | ADRB2 known ✓ | P07550 | 1/20 | 0.47 |
| ▸ | MTNR1A | P48039 | 3/20 | 0.60 |
| ▸ | MTNR1B | P49286 | 3/20 | 0.60 |
| ▸ | LMNA | P02545 | 1/20 | 0.58 |
| ▸ | MAOA | P21397 | 1/20 | 0.53 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.53 |
| ▸ | MAPT | P10636 | 3/20 | 0.53 |
| ▸ | POLB | P06746 | 1/20 | 0.53 |
| ▸ | HPGD | P15428 | 1/20 | 0.53 |
| ▸ | XBP1 | P17861 | 1/20 | 0.53 |
| ▸ | KAT6A | Q92794 | 1/20 | 0.49 |
| ▸ | GPR88 | Q9GZN0 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.48 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.47 |
| ▸ | SCN4A | P35499 | 2/20 | 0.47 |
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 | |
|---|---|---|---|---|
| Methylamine SCHEMBL28036850 | 0.90 | LMNA (0.63) | MTNR1AMTNR1BLMNAMAOAPTGS1 | |
| SCHEMBL9178337 | 0.86 | LMNA (0.68) | MTNR1AMTNR1BLMNAMAOAPTGS1 | |
| SCHEMBL97377 | 0.86 | LMNA (0.68) | MTNR1AMTNR1BLMNAMAOAPTGS1 | |
| Ammonia Solution, Strong SCHEMBL28834669 | 0.84 | LMNA (0.65) | MTNR1AMTNR1BLMNAMAOAPTGS1 | |
| Acetic Acid SCHEMBL3252060 | 0.83 | LMNA (0.85) | MTNR1AMTNR1BLMNAMAOAPTGS1 | |
| Ethylene Glycol SCHEMBL6560927 | 0.82 | LMNA (0.64) | MTNR1AMTNR1BLMNAMAOAPTGS1 | |
| Propane SCHEMBL27634743 | 0.82 | LMNA (0.63) | MTNR1AMTNR1BLMNAMAOAPTGS1 | |
| Phenol SCHEMBL28176729 | 0.81 | LMNA (0.62) | MTNR1AMTNR1BLMNAMAOAPTGS1 | |
| Acetic Acid SCHEMBL3075493 | 0.81 | ACACB (0.51) | MTNR1AMTNR1BMAPTPOLBHPGD | |
| Methylamine SCHEMBL20393929 | 0.80 | LMNA (0.50) | LMNAMAPTPOLBHPGDXBP1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107011137-A | A kind of synthetic method of Mo Fanselin intermediate | 杭州科耀医药科技有限公司 | 2017-08-04 | — | — | CN | disclosed |