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 | |
|---|---|---|---|---|
| ▸ | ADRA2A known ✓ | P08913 | 1/20 | 0.44 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.57 |
| ▸ | SRD5A2 | P31213 | 2/20 | 0.56 |
| ▸ | SRD5A1 | P18405 | 1/20 | 0.56 |
| ▸ | RAB9A | P51151 | 3/20 | 0.55 |
| ▸ | NPC1 | O15118 | 1/20 | 0.55 |
| ▸ | MAPT | P10636 | 1/20 | 0.55 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.51 |
| ▸ | METAP1 | P53582 | 1/20 | 0.50 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.50 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.50 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.50 |
| ▸ | NOTUM | Q6P988 | 2/20 | 0.45 |
| ▸ | PGR | P06401 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | MAOA | P21397 | 1/20 | 0.44 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.44 |
| ▸ | HTR2C | P28335 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL11839424 | 0.85 | RAB9A (0.79) | HSP90AA1SRD5A2SRD5A1RAB9ANPC1 | |
| SCHEMBL29572171 | 0.85 | METAP1 (0.57) | HSP90AA1SRD5A2SRD5A1METAP1SLC1A3 | |
| SCHEMBL1922789 | 0.85 | METAP1 (0.57) | HSP90AA1SRD5A2SRD5A1METAP1SLC1A3 | |
| SCHEMBL11812574 | 0.81 | SRD5A2 (0.62) | HSP90AA1SRD5A2SRD5A1RAB9ANPC1 | |
| SCHEMBL29142958 | 0.80 | NPC1 (0.47) | HSP90AA1SRD5A2SRD5A1RAB9ANPC1 | |
| SCHEMBL30641638 | 0.80 | NPC1 (0.47) | HSP90AA1SRD5A2SRD5A1RAB9ANPC1 | |
| SCHEMBL10897456 | 0.80 | RAB9A (0.44) | HSP90AA1SRD5A2SRD5A1RAB9ANPC1 | |
| Acetamide SCHEMBL27382435 | 0.80 | NOTUM (0.45) | HSP90AA1SRD5A2SRD5A1RAB9ANPC1 | |
| SCHEMBL11681417 | 0.79 | AKR1B1 (0.52) | HSP90AA1SRD5A2SRD5A1MAPTMETAP1 | |
| SCHEMBL10895535 | 0.79 | IAPP (0.47) | HSP90AA1SRD5A2SRD5A1RAB9ANPC1 |
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-108586189-A | A kind of recovery and treatment method of 2,7- dichloros fluorenes reaction mother liquor | 绍兴文理学院 | 2018-09-28 | — | — | CN | claimed |
| CN-108586189-A | A kind of recovery and treatment method of 2,7- dichloros fluorenes reaction mother liquor | 绍兴文理学院 | 2018-09-28 | — | — | CN | disclosed |
| CN-106977410-A | One kind prepares lumefantrine intermediate α by fluorenes（Di-n-butylamine base）The preparation method of 2,7 dichloro-4,4 fluorenemethanols | 张家港威胜生物医药有限公司 | 2017-07-25 | — | — | CN | disclosed |