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 | |
|---|---|---|---|---|
| ▸ | OPRK1 known ✓ | P41145 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.36 |
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | ANPEP | P15144 | 1/20 | 0.34 |
| ▸ | RNPEP | Q9H4A4 | 1/20 | 0.34 |
| ▸ | DNPEP | Q9ULA0 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | CTSL | P07711 | 2/20 | 0.34 |
| ▸ | CTSS | P25774 | 2/20 | 0.34 |
| ▸ | CTSB | P07858 | 1/20 | 0.34 |
| ▸ | CTSK | P43235 | 1/20 | 0.34 |
| ▸ | CTSC | P53634 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL27836103 | 0.94 | SIGMAR1 (0.39) | SIGMAR1OPRK1CYP1A2CYP2D6TSHR | |
| Acetic Acid SCHEMBL28054127 | 0.81 | ALDH1A1 (0.44) | MEN1KMT2ASLC2A1SIGMAR1HPGD | |
| Acetic Acid SCHEMBL28000297 | 0.79 | MEN1 (0.36) | MEN1KMT2ASLC2A1SIGMAR1HPGD | |
| Acetic Acid SCHEMBL8076704 | 0.75 | MEN1 (0.36) | MEN1KMT2ASLC2A1SIGMAR1HPGD | |
| Hydrogen Sulfide SCHEMBL28207719 | 0.74 | ALDH1A1 (0.50) | SIGMAR1OPRK1CYP1A2CYP2D6TSHR | |
| Hydrogen Sulfide SCHEMBL28137593 | 0.71 | SIGMAR1 (0.38) | SIGMAR1OPRK1CYP1A2CYP2D6TSHR | |
| Acetic Acid SCHEMBL27982197 | 0.69 | ANPEP (0.46) | MEN1KMT2ASIGMAR1OPRK1ANPEP | |
| Benzyl Isothiocyanate SCHEMBL28996243 | 0.66 | MIF (0.49) | SIGMAR1HPGDTP53CYP1A2CYP2D6 | |
| Acetic Acid SCHEMBL28995037 | 0.66 | ANPEP (0.40) | MEN1KMT2ASIGMAR1OPRK1ANPEP | |
| Acetic Acid SCHEMBL14322291 | 0.66 | APAF1 (0.39) | MEN1KMT2ASIGMAR1OPRK1ANPEP |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109071669-A | Anti- paranuclein antibody | 查尔斯顿制药有限责任公司 | 2018-12-21 | — | — | CN | disclosed |
| CN-103893759-A | Anti-VEGF antibodies | GENENTECH INC | 2014-07-02 | — | — | CN | disclosed |