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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX5 | P09917 | 4/20 | 0.41 |
| ▸ | ARG1 | P05089 | 1/20 | 0.37 |
| ▸ | ARG2 | P78540 | 1/20 | 0.37 |
| ▸ | SMYD3 | Q9H7B4 | 2/20 | 0.33 |
| ▸ | BRD4 | O60885 | 2/20 | 0.33 |
| ▸ | PLG | P00747 | 1/20 | 0.32 |
| ▸ | PLAT | P00750 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | CPB2 | Q96IY4 | 1/20 | 0.32 |
| ▸ | MELK | Q14680 | 2/20 | 0.32 |
| ▸ | GNAI3 | P08754 | 1/20 | 0.31 |
| ▸ | GNAO1 | P09471 | 1/20 | 0.31 |
| ▸ | GNAI1 | P63096 | 1/20 | 0.31 |
| ▸ | PTGIR | P43119 | 1/20 | 0.30 |
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 SCHEMBL528980 | 1.00 | ALOX5 (0.41) | ALOX5ARG1ARG2SMYD3BRD4 | |
| SCHEMBL12714638 | 0.87 | BRD4 (0.37) | ALOX5BRD4 | |
| SCHEMBL530402 | 0.87 | BRD4 (0.37) | ALOX5BRD4 | |
| SCHEMBL529130 | 0.87 | BRD4 (0.37) | ALOX5BRD4 | |
| Trifluoroacetic Acid SCHEMBL19502953 | 0.85 | ALOX5 (0.36) | ALOX5ARG1ARG2SMYD3BRD4 | |
| Trifluoroacetic Acid SCHEMBL19502951 | 0.85 | ALOX5 (0.36) | ALOX5ARG1ARG2SMYD3BRD4 | |
| Hydrochloric Acid SCHEMBL15191411 | 0.85 | BRD4 (0.36) | ALOX5BRD4 | |
| Hydrochloric Acid SCHEMBL529660 | 0.85 | BRD4 (0.36) | ALOX5BRD4 | |
| Hydrochloric Acid SCHEMBL15191068 | 0.85 | BRD4 (0.36) | ALOX5BRD4 | |
| Hydrochloric Acid SCHEMBL15191371 | 0.85 | BRD4 (0.36) | ALOX5BRD4 |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10544138-B2 | Tricyclic kinase inhibitors of MELK and methods of use | DANA-FARBER CANCER INSTITUTE, INC. (US) | 2020-01-28 | — | — | US | disclosed |
| US-20190084977-A1 | TRICYCLIC KINASE INHIBITORS OF MELK ANDS METHODS OF USE | DANA-FARBER CANCER INSTITUTE, INC. (US) | 2019-03-21 | — | — | US | disclosed |
| EP-2753329-B1 | 1,5-NAPHTHYRIDINE DERIVATIVES AS MELK INHIBITORS | ONCOTHERAPY SCIENCE INC (JP) | 2017-08-09 | — | — | EP | disclosed |
| US-9345709-B2 | 1,5-naphthyridine derivatives and MELK inhibitors containing the same | ONCOTHERAPY SCIENCE, INC. (JP) | 2016-05-24 | — | — | US | disclosed |
| EP-2597955-B1 | QUINOLINE DERIVATIVES AND MELK INHIBITORS CONTAINING THE SAME | ONCOTHERAPY SCIENCE INC (JP) | 2016-01-20 | — | — | EP | disclosed |
| US-20150328225-A1 | 1,5-NAPHTHYRIDINE DERIVATIVES AND MELK INHIBITORS CONTAINING THE SAME | ONCOTHERAPY SCIENCE, INC. (JP) | 2015-11-19 | — | — | US | disclosed |
| US-9120749-B2 | Quinoline derivatives and MELK inhibitors containing the same | ONCOTHERAPY SCIENCE, INC. (JP) | 2015-09-01 | — | — | US | disclosed |
| US-9067937-B2 | 1,5-naphthyridine derivatives and MELK inhibitors containing the same | ONCOTHERAPY SCIENCE, INC. (JP) | 2015-06-30 | — | — | US | disclosed |
| US-20150005302-A1 | 1,5-NAPHTHYRIDINE DERIVATIVES AND MELK INHIBITORS CONTAINING THE SAME | ONCOTHERAPY SCIENCE, INC. (JP) | 2015-01-01 | — | — | US | disclosed |
| US-20130217671-A1 | QUINOLINE DERIVATIVES AND MELK INHIBITORS CONTAINING THE SAME | ONCOTHERAPY SCIENCE, INC. (JP) | 2013-08-22 | — | — | 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 (5 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-20150328225-A1 | 1,5-NAPHTHYRIDINE DERIVATIVES AND MELK INHIBITORS CONTAINING THE SAME | MELK, NEK1, NEK5 | ALOX5 4170/4885ARG1 2350/4885ARG2 1420/4885 |
| US-20190084977-A1 | TRICYCLIC KINASE INHIBITORS OF MELK ANDS METHODS OF USE | MELK, MKNK1, BMP2K | ALOX5 4703/4885ARG1 4120/4885ARG2 3112/4885 |
| US-20150005302-A1 | 1,5-NAPHTHYRIDINE DERIVATIVES AND MELK INHIBITORS CONTAINING THE SAME | MELK, NEK1, NEK5 | ALOX5 4170/4885ARG1 2350/4885ARG2 1420/4885 |
| US-10544138-B2 | Tricyclic kinase inhibitors of MELK and methods of use | MELK, MKNK1, BMP2K | ALOX5 4704/4885ARG1 4154/4885ARG2 2883/4885 |
| US-20130217671-A1 | QUINOLINE DERIVATIVES AND MELK INHIBITORS CONTAINING THE SAME | MELK, NADK, NEK1 | ALOX5 4811/4885ARG1 2990/4885ARG2 1222/4885 |
“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.