Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | VNN1 | O95497 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | P2RX3 | P56373 | 5/20 | 0.33 |
| ▸ | P2RX2 | Q9UBL9 | 5/20 | 0.33 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | GLA | P06280 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | MAP3K8 | P41279 | 2/20 | 0.31 |
| ▸ | MALT1 | Q9UDY8 | 1/20 | 0.31 |
| ▸ | USP1 | O94782 | 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 | |
|---|---|---|---|---|
| SCHEMBL30060453 | 1.00 | VNN1 (0.38) | VNN1HDAC1HDAC6KDM4ETSHR | |
| SCHEMBL23611499 | 0.82 | CYP2C19 (0.47) | HDAC1HDAC6KDM4ETSHRMAPK1 | |
| SCHEMBL30060461 | 0.82 | CYP2C19 (0.47) | HDAC1HDAC6KDM4ETSHRMAPK1 | |
| SCHEMBL23611365 | 0.78 | SMN1; SMN2 (0.40) | HDAC1HDAC6KDM4ETSHRMAPK1 | |
| SCHEMBL30060452 | 0.77 | VNN1 (0.35) | VNN1KDM4ESMN1; SMN2ALDH1A1LMNA | |
| SCHEMBL23611335 | 0.77 | VNN1 (0.35) | VNN1KDM4ESMN1; SMN2ALDH1A1LMNA | |
| SCHEMBL30041441 | 0.69 | MAPT (0.36) | HDAC1HDAC6KDM4ESMN1; SMN2ALDH1A1 | |
| SCHEMBL26260522 | 0.69 | MAPT (0.36) | HDAC1HDAC6KDM4ESMN1; SMN2ALDH1A1 | |
| SCHEMBL23611440 | 0.69 | CYP2C19 (0.47) | HDAC1HDAC6KDM4ETSHRMAPK1 | |
| SCHEMBL30062040 | 0.69 | CYP2C19 (0.47) | HDAC1HDAC6KDM4ETSHRMAPK1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-4085057-A1 | NOVEL PQSR INVERSE AGONISTS | Helmholtz-Zentrum für Infektionsforschung GmbH (DE) | 2022-11-09 | — | — | EP | disclosed |
| WO-2021136805-A1 | NOVEL PqsR INVERSE AGONISTS | Helmholtz-Zentrum für Infektionsforschung GmbH (DE) | 2021-07-08 | — | — | WO | disclosed |