Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | IDH2 | P48735 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | PDE10A | Q9Y233 | 2/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | KLK1 | P06870 | 1/20 | 0.39 |
| ▸ | KLK5 | Q9Y337 | 1/20 | 0.39 |
| ▸ | TAS2R14 | Q9NYV8 | 1/20 | 0.39 |
| ▸ | IDH1 | O75874 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL25402812 | 1.00 | CYP1A2 (0.42) | CYP1A2TSHRHDAC1HDAC6HSD17B10 | |
| SCHEMBL30040258 | 0.91 | IDH2 (0.41) | HDAC1HDAC6HSD17B10IDH2PDE10A | |
| SCHEMBL23618342 | 0.91 | IDH2 (0.41) | HDAC1HDAC6HSD17B10IDH2PDE10A | |
| SCHEMBL26262034 | 0.84 | TSHR (0.44) | CYP1A2TSHRHDAC1HDAC6HSD17B10 | |
| SCHEMBL21614777 | 0.84 | CYP3A4 (0.54) | CYP1A2TSHRHDAC1HDAC6HSD17B10 | |
| SCHEMBL30579942 | 0.83 | HSD17B10 (0.39) | CYP1A2TSHRHDAC1HDAC6HSD17B10 | |
| SCHEMBL30040122 | 0.82 | RAB9A (0.44) | CYP1A2TSHRHDAC1HDAC6CYP3A4 | |
| SCHEMBL25400113 | 0.82 | RAB9A (0.44) | CYP1A2TSHRHDAC1HDAC6CYP3A4 | |
| SCHEMBL23618336 | 0.82 | NPC1 (0.44) | CYP1A2CYP3A4CYP2C19PDE10A | |
| SCHEMBL23618341 | 0.80 | IDH1 (0.35) | CYP1A2TSHRHSD17B10IDH2CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-4085054-A1 | NEW PQSR INVERSE AGONISTS | Helmholtz-Zentrum für Infektionsforschung GmbH (DE) | 2022-11-09 | — | — | EP | disclosed |