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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 3/20 | 0.50 |
| ▸ | HTT | P42858 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | GRM5 | P41594 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | GLA | P06280 | 1/20 | 0.38 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.37 |
| ▸ | P4HTM | Q9NXG6 | 1/20 | 0.37 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL676888 | 0.84 | — | — | |
| Hydrochloric Acid SCHEMBL27939884 | 0.82 | — | — | |
| Phosphine SCHEMBL28106108 | 0.82 | — | — | |
| Phosphonic Acid SCHEMBL7797074 | 0.81 | LMNA (0.41) | LMNAHTTKDM4EALDH1A1GRM5 | |
| SCHEMBL8949858 | 0.76 | FDPS (0.42) | LMNAHTTKDM4EALDH1A1GRM5 | |
| SCHEMBL9070582 | 0.74 | LMNA (0.36) | LMNAHTTKDM4EALDH1A1GRM5 | |
| Acetic Acid SCHEMBL28219534 | 0.74 | RAB9A (0.57) | HTTKDM4EALDH1A1GAAL3MBTL1 | |
| SCHEMBL2491687 | 0.73 | LMNA (0.63) | LMNAHTTKDM4EALDH1A1GAA | |
| Acetic Acid SCHEMBL28146895 | 0.72 | ALDH1A1 (0.44) | LMNAHTTKDM4EALDH1A1L3MBTL1 | |
| SCHEMBL4303429 | 0.70 | LMNA (0.54) | LMNAHTTKDM4EALDH1A1GAA |
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 |
|---|---|---|---|---|---|---|---|
| EP-2414351-A1 | NOVEL SALT OF 1,3,5-TRIAZINE-2,4,6-TRIAMINE DERIVATIVE | Astellas Pharma Inc. (JP) | 2012-02-08 | — | — | EP | disclosed |
| WO-2010114162-A1 | NOVEL SALT OF 1,3,5-TRIAZINE-2,4,6-TRIAMINE DERIVATIVE | ASTELLAS PHARMA INC. (JP) | 2010-10-07 | — | — | WO | disclosed |