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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | JAK2 | O60674 | 8/20 | 0.38 |
| ▸ | PTK2 | Q05397 | 3/20 | 0.37 |
| ▸ | INSR | P06213 | 2/20 | 0.37 |
| ▸ | ALK | Q9UM73 | 2/20 | 0.37 |
| ▸ | HTR2A | P28223 | 1/20 | 0.37 |
| ▸ | HTR2C | P28335 | 1/20 | 0.37 |
| ▸ | PTGER1 | P34995 | 1/20 | 0.37 |
| ▸ | MPO | P05164 | 1/20 | 0.36 |
| ▸ | TPO | P07202 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | CTSA | P10619 | 2/20 | 0.36 |
| ▸ | JAK1 | P23458 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | NPM1 | P06748 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL519430 | 0.93 | MAPT (0.39) | ALDH1A1HPGDMAPTJAK2PTK2 | |
| SCHEMBL519245 | 0.92 | JAK2 (0.42) | ALDH1A1HPGDMAPTJAK2PTK2 | |
| SCHEMBL520628 | 0.85 | JAK2 (0.42) | ALDH1A1HPGDMAPTJAK2PTK2 | |
| SCHEMBL519550 | 0.83 | JAK2 (0.36) | ALDH1A1HPGDMAPTJAK2PTK2 | |
| SCHEMBL521930 | 0.80 | JAK2 (0.48) | ALDH1A1HPGDMAPTJAK2PTK2 | |
| SCHEMBL520446 | 0.76 | JAK2 (0.57) | JAK2PTK2INSRALKNPM1 | |
| SCHEMBL520822 | 0.74 | JAK2 (0.50) | ALDH1A1JAK2PTK2INSRALK | |
| SCHEMBL520199 | 0.73 | JAK2 (0.44) | JAK2PTK2INSRALKNPM1 | |
| SCHEMBL519979 | 0.73 | JAK2 (0.41) | ALDH1A1HPGDJAK2PTK2INSR | |
| SCHEMBL521921 | 0.72 | JAK2 (0.47) | JAK2PTK2INSRALKNPM1 |
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 |
|---|---|---|---|---|---|---|---|
| US-8471005-B2 | Pyrrolotriazines as ALK and JAK2 inhibitors | CEPHALON, INC. (US) | 2013-06-25 | — | — | US | disclosed |
| US-20120028919-A1 | PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS | CEPHALON, INC. (US) | 2012-02-02 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20120028919-A1 | PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS | JAK2, ALK, ABL1 | ALDH1A1 779/4885HPGD 3064/4885MAPT 3109/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.