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 | |
|---|---|---|---|---|
| ▸ | OR51E2 | Q9H255 | 1/20 | 0.35 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.33 |
| ▸ | LCK | P06239 | 1/20 | 0.33 |
| ▸ | FYN | P06241 | 1/20 | 0.33 |
| ▸ | SLC1A1 | P43005 | 3/20 | 0.32 |
| ▸ | CTSC | P53634 | 1/20 | 0.32 |
| ▸ | SLC1A2 | P43004 | 3/20 | 0.31 |
| ▸ | SLC1A3 | P43003 | 2/20 | 0.31 |
| ▸ | USP2 | O75604 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.31 |
| ▸ | SLCO1B1 | Q9Y6L6 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | DPP4 | P27487 | 2/20 | 0.31 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.30 |
| ▸ | GABRP | O00591 | 2/20 | 0.30 |
| ▸ | GABRD | O14764 | 2/20 | 0.30 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.30 |
| ▸ | GABRB1 | P18505 | 2/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Bicarbonate SCHEMBL17224665 | 0.90 | OR51E2 (0.38) | OR51E2SLC1A1CTSCSLC1A2SLC1A3 | |
| SCHEMBL22710953 | 0.84 | — | — | |
| SCHEMBL1834106 | 0.84 | — | — | |
| Hydrochloric Acid SCHEMBL22263984 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL22263983 | 0.82 | — | — | |
| Phosphoric Acid SCHEMBL6295624 | 0.78 | ANPEP (0.33) | — | |
| L-Alaninol SCHEMBL8820536 | 0.71 | — | — | |
| Acetic Acid SCHEMBL7045506 | 0.71 | FFAR3 (0.44) | OR51E2FFAR3LCKFYNSLC1A1 | |
| SCHEMBL1989240 | 0.70 | — | — | |
| SCHEMBL8344013 | 0.70 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8153441-B2 | Method for analyzing structure and purity of serotonin transporter imaging agent [123 I] ADAM and precursor SnADAM | INSTITUTE OF NUCLEAR ENERGY RESEARCH ATOMIC ENERGY COUNCIL (TW) | 2012-04-10 | — | — | US | claimed |
| US-20100112706-A1 | METHOD FOR ANALYZING STRUCTURE AND PURITY OF SEROTONIN TRANSPORTER IMAGING AGENT [123I] ADAM AND PRECURSOR SnADAM | INSTITUTE OF NUCLEAR ENERGY RESEARCH ATOMIC ENERGY COUNCIL, EXECUTIVE YUAN (TW) | 2010-05-06 | — | — | US | claimed |
| US-8153441-B2 | Method for analyzing structure and purity of serotonin transporter imaging agent [123 I] ADAM and precursor SnADAM | INSTITUTE OF NUCLEAR ENERGY RESEARCH ATOMIC ENERGY COUNCIL (TW) | 2012-04-10 | — | — | US | disclosed |
| US-20100112706-A1 | METHOD FOR ANALYZING STRUCTURE AND PURITY OF SEROTONIN TRANSPORTER IMAGING AGENT [123I] ADAM AND PRECURSOR SnADAM | INSTITUTE OF NUCLEAR ENERGY RESEARCH ATOMIC ENERGY COUNCIL, EXECUTIVE YUAN (TW) | 2010-05-06 | — | — | US | disclosed |