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 | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.65 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.61 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.61 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.61 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.61 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.59 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.56 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.56 |
| ▸ | HTT | P42858 | 2/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.55 |
| ▸ | JAK2 | O60674 | 1/20 | 0.55 |
| ▸ | TYK2 | P29597 | 1/20 | 0.55 |
| ▸ | MAPT | P10636 | 3/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.54 |
| ▸ | MEN1 | O00255 | 2/20 | 0.54 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.54 |
| ▸ | CA12 | O43570 | 1/20 | 0.54 |
| ▸ | BRD4 | O60885 | 1/20 | 0.54 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL48610 | 0.96 | TSHR (0.69) | TSHRMDM2NAPRTHSD17B10EPHX1 | |
| Hydrochloric Acid SCHEMBL11146958 | 0.93 | TSHR (0.67) | TSHRMDM2NAPRTHSD17B10EPHX1 | |
| Water SCHEMBL11515613 | 0.93 | TSHR (0.67) | TSHRMDM2NAPRTHSD17B10EPHX1 | |
| SCHEMBL3728246 | 0.83 | SMN1; SMN2 (0.76) | TSHRMDM2NAPRTHSD17B10EPHX1 | |
| SCHEMBL6331463 | 0.80 | ALDH1A1 (0.68) | TSHRSMN1; SMN2L3MBTL1HTTKDM4E | |
| SCHEMBL1234281 | 0.79 | MDM2 (0.70) | MDM2EPHX1TAAR1SMN1; SMN2L3MBTL1 | |
| Acetanilide SCHEMBL11511638 | 0.79 | NAPRT (0.95) | TSHRNAPRTHSD17B10EPHX1TAAR1 | |
| Acetanilide SCHEMBL27755980 | 0.79 | NAPRT (0.95) | TSHRNAPRTHSD17B10EPHX1TAAR1 | |
| Acetic Acid SCHEMBL9475944 | 0.79 | BCHE (0.59) | TSHRMDM2HSD17B10EPHX1TAAR1 | |
| SCHEMBL22009555 | 0.79 | TSHR (0.60) | TSHREPHX1SMN1; SMN2L3MBTL1HTT |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5053413-A | Antiarrhythmia agent | G. D. SEARLE & CO. (US) | 1991-10-01 | — | — | US | disclosed |