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 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IKBKB | O14920 | 7/20 | 0.59 |
| ▸ | CDK2 | P24941 | 9/20 | 0.47 |
| ▸ | CDK4 | P11802 | 4/20 | 0.46 |
| ▸ | CDK1 | P06493 | 2/20 | 0.46 |
| ▸ | ABL1 | P00519 | 2/20 | 0.43 |
| ▸ | BCR | P11274 | 2/20 | 0.43 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.41 |
| ▸ | CDK9 | P50750 | 1/20 | 0.41 |
| ▸ | SYK | P43405 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL4880084 | 0.96 | IKBKB (0.63) | IKBKBCDK2CDK4CDK1ABL1 | |
| Acetic Acid SCHEMBL4877880 | 0.91 | IKBKB (0.60) | IKBKBCDK2CDK4CDK1ABL1 | |
| SCHEMBL3521750 | 0.86 | IKBKB (0.65) | IKBKBCDK2CDK4CDK1CCNT1 | |
| SCHEMBL4877301 | 0.85 | IKBKB (0.46) | IKBKBCDK2CDK4CDK1ABL1 | |
| SCHEMBL4872194 | 0.84 | IKBKB (0.62) | IKBKBCDK2CDK4CDK1CCNT1 | |
| SCHEMBL3521164 | 0.81 | IKBKB (0.67) | IKBKBCDK2CDK4CDK1 | |
| SCHEMBL3520682 | 0.81 | IKBKB (0.67) | IKBKBCDK2CDK4CDK1 | |
| SCHEMBL3515574 | 0.81 | IKBKB (0.64) | IKBKBCDK2CDK4CDK1CCNT1 | |
| SCHEMBL3522199 | 0.81 | IKBKB (0.65) | IKBKBCDK2CDK4CDK1CCNT1 | |
| SCHEMBL3519790 | 0.80 | IKBKB (0.70) | IKBKBCDK2CDK4CDK1 |
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-20080262009-A1 | CRYSTALLINE POLYMORPHS OF N-(3-(DIMETHYLAMINO)PROPYL)-4-(4-(3-FLUORO-4-METHOXYPHENYL) PYRIMIDIN-2-YLAMINO) BENZENESULFONAMIDE AS ACETATE SALTS | WYETH (US) | 2008-10-23 | — | — | 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-20080262009-A1 | CRYSTALLINE POLYMORPHS OF N-(3-(DIMETHYLAMINO)PROPYL)-4-(4-(3-FLUORO-4-METHOXYPHENYL) PYRIMIDIN-2-YLAMINO) BENZENESULFONAMIDE AS ACETATE SALTS | CYP2F1, CYP4B1, CYP3A4 | IKBKB 4538/4885CDK2 188/4885CDK4 294/4885 |
“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.