Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR4 | P51679 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
| ▸ | RXFP1 | Q9HBX9 | 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 | |
|---|---|---|---|---|
| SCHEMBL30087456 | 0.88 | CCR4 (0.31) | CCR4 | |
| SCHEMBL23754333 | 0.88 | CCR4 (0.31) | CCR4 | |
| SCHEMBL23769535 | 0.83 | NPC1 (0.30) | KDM4ENPC1RAB9ARXFP1 | |
| SCHEMBL23769707 | 0.78 | FAAH (0.34) | KDM4ENPC1RAB9ARXFP1 | |
| SCHEMBL29906659 | 0.75 | KLKB1 (0.31) | KDM4ENPC1RAB9ARXFP1 | |
| SCHEMBL29906628 | 0.75 | KLKB1 (0.31) | KDM4ENPC1RAB9ARXFP1 | |
| SCHEMBL23769712 | 0.75 | KLKB1 (0.34) | CCR4KDM4ENPC1RAB9ARXFP1 | |
| SCHEMBL23769467 | 0.72 | ITGAL (0.31) | — | |
| SCHEMBL23769529 | 0.70 | KLKB1 (0.33) | — | |
| SCHEMBL23843236 | 0.69 | KLKB1 (0.45) | RAB9A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021160718-A1 | HETEROAROMATIC CARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2021-08-19 | — | — | WO | disclosed |