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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MTNR1A | P48039 | 5/20 | 0.36 |
| ▸ | MTNR1B | P49286 | 4/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 4/20 | 0.34 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.33 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.33 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.33 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.33 |
| ▸ | RAB9A | P51151 | 3/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL11291104 | 0.83 | SMN1; SMN2 (0.42) | MTNR1AMTNR1BKMT2ANPC1SMN1; SMN2 | |
| SCHEMBL11295491 | 0.82 | MTNR1A (0.36) | MTNR1AMTNR1BPDK2OPRM1OPRL1 | |
| SCHEMBL31452460 | 0.82 | SLC6A4 (0.34) | KMT2ASMN1; SMN2RAB9ALMNA | |
| SCHEMBL11288858 | 0.82 | SLC6A4 (0.34) | KMT2ASMN1; SMN2RAB9ALMNA | |
| SCHEMBL11349725 | 0.81 | ADRB2 (0.41) | KMT2ALMNA | |
| SCHEMBL11287091 | 0.80 | LMNA (0.37) | KMT2AHDAC4LMNAL3MBTL1 | |
| SCHEMBL11291603 | 0.79 | ADRB1 (0.42) | KMT2ASMN1; SMN2LMNA | |
| SCHEMBL11295572 | 0.78 | LMNA (0.37) | KMT2APDK2HDAC4LMNA | |
| SCHEMBL11289410 | 0.75 | — | — | |
| SCHEMBL11290081 | 0.75 | IDO1 (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0000825-B1 | GEMINALLY DISUBSTITUTED INDENE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | Kabi AB (SE) | 1982-04-14 | — | — | EP | disclosed |
| US-4218472-A | USED AS DECONGESANT, HYPOTENSIVE AGENT, VASOCONSTRICTOR, ANTI-RESERPINE AGENT, TREATING INCONTINENCE | AB KABI (SE) | 1980-08-19 | — | — | US | disclosed |