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 | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 4/20 | 0.41 |
| ▸ | CLCN2 | P51788 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | CHRNB2 | P17787 | 3/20 | 0.39 |
| ▸ | CHRNA4 | P43681 | 3/20 | 0.39 |
| ▸ | MEN1 | O00255 | 3/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | RECQL | P46063 | 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 | |
|---|---|---|---|---|
| SCHEMBL30060651 | 0.90 | CHRNB2 (0.44) | LMNASMN1; SMN2PTPN1POLBNPC1 | |
| SCHEMBL761705 | 0.90 | CHRNB2 (0.44) | LMNASMN1; SMN2PTPN1POLBNPC1 | |
| SCHEMBL16741104 | 0.77 | PTGDR2 (0.53) | LMNASMN1; SMN2POLBL3MBTL1CYP1A2 | |
| SCHEMBL30680090 | 0.77 | PTGDR2 (0.53) | LMNASMN1; SMN2POLBL3MBTL1CYP1A2 | |
| SCHEMBL15517314 | 0.76 | LMNA (0.53) | LMNASMN1; SMN2NPC1L3MBTL1CYP1A2 | |
| SCHEMBL14498464 | 0.75 | SMN1; SMN2 (0.44) | LMNASMN1; SMN2POLBL3MBTL1CYP1A2 | |
| SCHEMBL1622556 | 0.75 | KDM4E (0.58) | LMNASMN1; SMN2PTPN1POLBNPC1 | |
| SCHEMBL28121427 | 0.73 | KDM4E (0.56) | LMNASMN1; SMN2PTPN1POLBNPC1 | |
| SCHEMBL5178813 | 0.73 | SMN1; SMN2 (0.53) | LMNASMN1; SMN2POLBNPC1L3MBTL1 | |
| SCHEMBL24323463 | 0.72 | NFE2L2 (0.40) | SMN1; SMN2PTPN1NPC1RAB9A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105745214-B | Tricyclic piperidine compounds | 埃科特莱茵药品有限公司 | 2019-02-19 | — | — | CN | disclosed |
| CN-107567449-A | Tricyclic piperidine compounds | 埃科特莱茵药品有限公司 | 2018-01-09 | — | — | CN | disclosed |
| CN-105745214-A | Tricyclic piperidine compounds | 埃科特莱茵药品有限公司 | 2016-07-06 | — | — | CN | disclosed |