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 | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 3/20 | 0.50 |
| ▸ | MGAM | O43451 | 1/20 | 0.50 |
| ▸ | SI | P14410 | 1/20 | 0.50 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.50 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 2/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | KDM6B | O15054 | 1/20 | 0.34 |
| ▸ | KDM5C | P41229 | 1/20 | 0.34 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.34 |
| ▸ | PHF8 | Q9UPP1 | 1/20 | 0.34 |
| ▸ | KDM2A | Q9Y2K7 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | CTSK | P43235 | 2/20 | 0.33 |
| ▸ | CCNB2 | O95067 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL27883464 | 0.95 | GAA (0.55) | GAAMGAMSIMGAM2DGAT1 | |
| SCHEMBL82881 | 0.95 | GAA (0.55) | GAAMGAMSIMGAM2DGAT1 | |
| SCHEMBL17433582 | 0.93 | GAA (0.52) | GAAMGAMSIMGAM2DGAT1 | |
| Hydrochloric Acid SCHEMBL8385588 | 0.93 | GAA (0.52) | GAAMGAMSIMGAM2DGAT1 | |
| SCHEMBL17433553 | 0.93 | GAA (0.52) | GAAMGAMSIMGAM2DGAT1 | |
| SCHEMBL17433568 | 0.93 | GAA (0.52) | GAAMGAMSIMGAM2DGAT1 | |
| SCHEMBL17433556 | 0.93 | GAA (0.52) | GAAMGAMSIMGAM2DGAT1 | |
| SCHEMBL20477589 | 0.93 | GAA (0.52) | GAAMGAMSIMGAM2DGAT1 | |
| Methane SCHEMBL20994672 | 0.93 | GAA (0.52) | GAAMGAMSIMGAM2DGAT1 | |
| SCHEMBL19915269 | 0.93 | GAA (0.52) | GAAMGAMSIMGAM2DGAT1 |
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-5959960-A | Method of providing a range of conformalities for optical recording layers | EASTMAN KODAK COMPANY (US) | 1999-09-28 | — | — | US | disclosed |