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 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 known ✓ | P29474 | 1/20 | 0.32 |
| ▸ | NOS1 known ✓ | P29475 | 1/20 | 0.32 |
| ▸ | NOS2 known ✓ | P35228 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | OTC | P00480 | 1/20 | 0.31 |
| ▸ | NOD1 | Q9Y239 | 2/20 | 0.30 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL1419586 | 0.97 | ALOX15 (0.34) | ALOX15MEN1KMT2AGAANOS3 | |
| SCHEMBL3732825 | 0.97 | ALOX15 (0.34) | ALOX15MEN1KMT2AGAANOS3 | |
| SCHEMBL1881323 | 0.97 | ALOX15 (0.34) | ALOX15MEN1KMT2AGAANOS3 | |
| Hydrochloric Acid SCHEMBL28067883 | 0.95 | ALOX15 (0.33) | ALOX15MEN1KMT2AGAANOS3 | |
| Hydrochloric Acid SCHEMBL28067882 | 0.95 | ALOX15 (0.33) | ALOX15MEN1KMT2AGAANOS3 | |
| SCHEMBL1697162 | 0.93 | ALOX15 (0.36) | ALOX15MEN1KMT2ANOS3NOS1 | |
| SCHEMBL27763046 | 0.93 | ALOX15 (0.36) | ALOX15MEN1KMT2ANOS3NOS1 | |
| SCHEMBL3722670 | 0.93 | ALOX15 (0.36) | ALOX15MEN1KMT2ANOS3NOS1 | |
| Hydrochloric Acid SCHEMBL9762986 | 0.91 | ALOX15 (0.36) | ALOX15MEN1KMT2ANOS3NOS1 | |
| SCHEMBL8015555 | 0.89 | ALOX15 (0.31) | ALOX15MEN1KMT2AGAANOS3 |
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 |
|---|---|---|---|---|---|---|---|
| CN-112220938-A | Magnetic resonance imaging contrast agent based on metal fullerene and preparation method thereof | 宜春学院 | 2021-01-15 | — | — | CN | disclosed |