Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 1/20 | 0.42 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.42 |
| ▸ | PTGS2 | P35354 | 4/20 | 0.37 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.37 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.37 |
| ▸ | CXCR1 | P25024 | 2/20 | 0.37 |
| ▸ | CXCR2 | P25025 | 2/20 | 0.37 |
| ▸ | ALB | P02768 | 1/20 | 0.37 |
| ▸ | ESR1 | P03372 | 1/20 | 0.37 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.37 |
| ▸ | RARB | P10826 | 1/20 | 0.37 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.37 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.37 |
| ▸ | HTR2A | P28223 | 1/20 | 0.37 |
| ▸ | NR1I3 | Q14994 | 1/20 | 0.37 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.37 |
| ▸ | CXCL8 | P10145 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL17877179 | 0.79 | GABRA1 (0.39) | GABRA1GABRB2PTGS2PTGS1LMNA | |
| SCHEMBL20375475 | 0.78 | ACACB (0.43) | GABRA1GABRB2PTGS2PTGS1LMNA | |
| SCHEMBL20465657 | 0.78 | CA2 (0.50) | GABRA1GABRB2PTGS2PTGS1LMNA | |
| SCHEMBL21998501 | 0.71 | IDH1 (0.42) | PTGS2PTGS1LMNAPOLBMAPT | |
| SCHEMBL18924414 | 0.66 | ACACB (0.44) | PTGS2LMNACYP2C9ESR1ALOX5 | |
| SCHEMBL8539519 | 0.64 | GABRA1 (0.50) | GABRA1GABRB2HTR2A | |
| SCHEMBL23094427 | 0.63 | PTGS2 (0.46) | PTGS2 | |
| SCHEMBL22330657 | 0.63 | GABRA1 (0.46) | GABRA1GABRB2PTGS2PTGS1LMNA | |
| SCHEMBL4165394 | 0.63 | GABRA1 (0.50) | GABRA1GABRB2PTGS2LMNACYP2C9 | |
| SCHEMBL24120701 | 0.63 | GABRA1 (0.47) | GABRA1GABRB2PTGS2TSHR |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3400210-B1 | \"MULTI-TARGET\" COMPOUNDS WITH INHIBITORY ACTIVITY TOWARDS HISTONE DEACETYLASES AND TUBULIN POLYMERISATION, FOR USE IN THE TREATMENT OF CANCER | UNIV PARIS SACLAY (FR) | 2021-09-29 | — | — | EP | disclosed |
| US-20180222869-A1 | ANTICANCER DRUGS INCLUDING THE CHEMICAL STRUCTURES OF AN ANDROGEN RECEPTOR LIGAND AND A HISTONE DEACETYLASE INHIBITOR | UNITED STATES GOVERNMENT | 2018-08-09 | — | — | US | disclosed |
| WO-2017118822-A2 | \"MULTI-TARGET\" COMPOUNDS WITH INHIBITORY ACTIVITY TOWARDS HISTONE DEACETYLASES AND TUBULIN POLYMERISATION, FOR USE IN THE TREATMENT OF CANCER | UNIVERSITE PARIS-SUD (FR) | 2017-07-13 | — | — | WO | 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-20180222869-A1 | ANTICANCER DRUGS INCLUDING THE CHEMICAL STRUCTURES OF AN ANDROGEN RECEPTOR LIGAND AND A HISTONE DEACETYLASE INHIBITOR | AR, HDAC1, HDAC11 | GABRA1 2062/4885GABRB2 2893/4885PTGS2 3054/4885 |
“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.