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 | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 2/20 | 0.66 |
| ▸ | GFER | P55789 | 1/20 | 0.65 |
| ▸ | MEN1 | O00255 | 3/20 | 0.65 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.65 |
| ▸ | MTNR1A | P48039 | 2/20 | 0.65 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.62 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.62 |
| ▸ | LMNA | P02545 | 1/20 | 0.62 |
| ▸ | PKM | P14618 | 1/20 | 0.62 |
| ▸ | TSHR | P16473 | 1/20 | 0.62 |
| ▸ | BLM | P54132 | 1/20 | 0.62 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.62 |
| ▸ | GAA | P10253 | 1/20 | 0.62 |
| ▸ | AANAT | Q16613 | 1/20 | 0.60 |
| ▸ | POLB | P06746 | 1/20 | 0.58 |
| ▸ | HPGD | P15428 | 2/20 | 0.57 |
| ▸ | RECQL | P46063 | 2/20 | 0.57 |
| ▸ | HTT | P42858 | 1/20 | 0.57 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.57 |
| ▸ | NPC1 | O15118 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL7973988 | 0.95 | MEN1 (0.71) | MAPTGFERMEN1KMT2AMTNR1A | |
| SCHEMBL7972523 | 0.90 | MEN1 (0.81) | MAPTGFERMEN1KMT2AMTNR1A | |
| Hydrochloric Acid SCHEMBL7960692 | 0.89 | MEN1 (0.79) | MAPTGFERMEN1KMT2AMTNR1A | |
| SCHEMBL7677886 | 0.87 | MEN1 (0.84) | MAPTGFERMEN1KMT2AMTNR1A | |
| SCHEMBL27099044 | 0.86 | MTNR1A (0.77) | MAPTGFERMEN1KMT2AMTNR1A | |
| SCHEMBL7972190 | 0.85 | MEN1 (0.59) | MAPTGFERMEN1KMT2AMTNR1A | |
| SCHEMBL7852879 | 0.85 | GFER (0.84) | MAPTGFERMEN1KMT2AMTNR1A | |
| SCHEMBL22183475 | 0.85 | MEN1 (0.68) | MAPTGFERMEN1KMT2AMTNR1A | |
| SCHEMBL918964 | 0.83 | MEN1 (0.78) | MAPTGFERMEN1KMT2AMTNR1A | |
| SCHEMBL918966 | 0.83 | MEN1 (0.78) | MAPTGFERMEN1KMT2AMTNR1A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2001055109-A1 | AROMATIC AMIDES ACTING ON MELANOCORTIN RECEPTORS | MELACURE THERAPEUTICS AB (SE) | 2001-08-02 | — | — | WO | disclosed |