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 |
| ▸ | OPRK1 known ✓ | P41145 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 3/20 | 0.54 |
| ▸ | ACACB | O00763 | 5/20 | 0.50 |
| ▸ | APP | P05067 | 1/20 | 0.50 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | MTNR1A | P48039 | 3/20 | 0.47 |
| ▸ | MTNR1B | P49286 | 3/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | TARBP2 | Q15633 | 1/20 | 0.47 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.47 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL28022628 | 0.89 | APP (0.54) | MAPTACACBAPPKMT2ANPC1 | |
| Hydrochloric Acid SCHEMBL28271147 | 0.88 | APP (0.53) | MAPTACACBAPPKMT2ANPC1 | |
| SCHEMBL7308225 | 0.81 | KMT2A (0.67) | MAPTACACBKMT2ANPC1LMNA | |
| SCHEMBL9489084 | 0.78 | APP (0.48) | MAPTAPPKMT2ALMNASMN1; SMN2 | |
| Acetic Acid SCHEMBL28158342 | 0.77 | MTNR1A (0.60) | MAPTACACBKMT2ALMNAMTNR1A | |
| Acetic Acid SCHEMBL3075493 | 0.77 | ACACB (0.51) | MAPTACACBNR1H4KMT2ASMN1; SMN2 | |
| SCHEMBL19908438 | 0.76 | MAPT (0.52) | MAPTACACBNR1H4KMT2ANPC1 | |
| SCHEMBL13652529 | 0.75 | POLB (0.58) | MAPTKMT2ANPC1LMNARAB9A | |
| SCHEMBL123415 | 0.75 | MAPT (0.55) | MAPTACACBNR1H4KMT2ANPC1 | |
| SCHEMBL12891619 | 0.75 | MEN1 (0.49) | MAPTAPPKMT2ALMNARAB9A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115677566-A | Preparation method of pimavanserin | 华中药业股份有限公司 | 2023-02-03 | — | — | CN | disclosed |
| CN-107848972-B | Process for the preparation of N- (4-fluorobenzyl) -N- (1-methylpiperidin-4-yl) -N' - (4- (2-methylpropyloxy) phenylmethyl) urea and its tartrate salt and polymorph C | 阿卡蒂亚药品公司 | 2021-06-18 | — | — | CN | disclosed |