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 | |
|---|---|---|---|---|
| ▸ | HDAC3 | O15379 | 1/20 | 0.57 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.57 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.57 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.57 |
| ▸ | JAK2 | O60674 | 6/20 | 0.53 |
| ▸ | JAK3 | P52333 | 4/20 | 0.53 |
| ▸ | PTK2 | Q05397 | 3/20 | 0.53 |
| ▸ | CDK2 | P24941 | 5/20 | 0.50 |
| ▸ | CCNA2 | P20248 | 3/20 | 0.50 |
| ▸ | CDK4 | P11802 | 1/20 | 0.50 |
| ▸ | CCND3 | P30281 | 1/20 | 0.50 |
| ▸ | CDK6 | Q00534 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CCNT1 | O60563 | 2/20 | 0.47 |
| ▸ | CDK9 | P50750 | 2/20 | 0.47 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.47 |
| ▸ | AURKA | O14965 | 1/20 | 0.46 |
| ▸ | TBK1 | Q9UHD2 | 1/20 | 0.46 |
| ▸ | JAK1 | P23458 | 1/20 | 0.45 |
| ▸ | SYK | P43405 | 2/20 | 0.45 |
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 SCHEMBL520171 | 0.93 | HDAC3 (0.58) | HDAC3HDAC1HDAC2HDAC6JAK2 | |
| SCHEMBL519704 | 0.91 | HDAC3 (0.58) | HDAC3HDAC1HDAC2HDAC6JAK2 | |
| SCHEMBL520274 | 0.80 | INSR (0.60) | JAK2JAK3PTK2CDK2CCNA2 | |
| SCHEMBL12614697 | 0.74 | HDAC3 (0.64) | HDAC3HDAC1HDAC2HDAC6JAK2 | |
| SCHEMBL4730099 | 0.73 | HDAC6 (1.00) | HDAC3HDAC1HDAC2HDAC6JAK2 | |
| SCHEMBL519830 | 0.73 | JAK2 (0.66) | HDAC3HDAC1HDAC2HDAC6JAK2 | |
| SCHEMBL519723 | 0.71 | JAK2 (0.63) | HDAC3HDAC1HDAC2HDAC6JAK2 | |
| SCHEMBL519709 | 0.71 | JAK2 (0.65) | HDAC3HDAC1HDAC2HDAC6JAK2 | |
| SCHEMBL520723 | 0.70 | JAK2 (0.59) | HDAC3HDAC1HDAC2HDAC6JAK2 | |
| SCHEMBL521344 | 0.69 | JAK2 (0.68) | HDAC3HDAC1HDAC2HDAC6JAK2 |
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 | HDAC3 841/4885HDAC1 811/4885HDAC2 1272/4885 |
“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.