Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDH2 | P48735 | 4/20 | 0.41 |
| ▸ | IDH1 | O75874 | 4/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | TGFBR1 | P36897 | 3/20 | 0.38 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.36 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.36 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.36 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.36 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.36 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.36 |
| ▸ | KDR | P35968 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.36 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL30040258 | 1.00 | IDH2 (0.41) | IDH2IDH1KDM4ETGFBR1MAPK14 | |
| SCHEMBL25402812 | 0.91 | CYP1A2 (0.42) | IDH2IDH1HSD17B10KCNH2HDAC1 | |
| SCHEMBL30040328 | 0.91 | CYP1A2 (0.42) | IDH2IDH1HSD17B10KCNH2HDAC1 | |
| SCHEMBL26262043 | 0.86 | TGFBR1 (0.44) | KDM4ETGFBR1MAPK14GRM4 | |
| SCHEMBL26260734 | 0.83 | NPC1 (0.40) | HDAC1HDAC8HDAC6GRM4PDE10A | |
| SCHEMBL26260641 | 0.83 | ABCB1 (0.43) | KDRGRM4PDE10A | |
| SCHEMBL30041878 | 0.83 | ABCB1 (0.43) | KDRGRM4PDE10A | |
| SCHEMBL30579942 | 0.80 | HSD17B10 (0.39) | IDH2IDH1KDM4EHSD17B10KCNH2 | |
| SCHEMBL21611957 | 0.79 | CYP3A4 (0.45) | TGFBR1KDRKCNH2PDE10A | |
| SCHEMBL21614777 | 0.77 | CYP3A4 (0.54) | HSD17B10KCNH2HDAC1HDAC6PDE10A |
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-20230286942-A1 | NEW PqsR INVERSE AGONISTS | Helmholtz-Zentrum für Infektionsforschung GmbH (DE) | 2023-09-14 | — | — | US | disclosed |
| WO-2021136803-A1 | NEW PqsR INVERSE AGONISTS | Helmholtz-Zentrum für Infektionsforschung GmbH (DE) | 2021-07-08 | — | — | 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-20230286942-A1 | NEW PqsR INVERSE AGONISTS | QRFPR, P2RY11, GPR55 | IDH2 3505/4885IDH1 3462/4885KDM4E 3563/4885 |
“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.