Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | CCR5 | P51681 | 2/20 | 0.41 |
| ▸ | HSD11B1 | P28845 | 5/20 | 0.40 |
| ▸ | CCR4 | P51679 | 1/20 | 0.40 |
| ▸ | B3GNT2 | Q9NY97 | 1/20 | 0.39 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.38 |
| ▸ | BACE1 | P56817 | 1/20 | 0.38 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL29848373 | 0.92 | ALDH1A1 (0.48) | ALDH1A1MAPK1CCR5HSD11B1USP30 | |
| SCHEMBL29848371 | 0.92 | ALDH1A1 (0.48) | ALDH1A1MAPK1CCR5HSD11B1USP30 | |
| SCHEMBL29847378 | 0.90 | HSD11B1 (0.50) | ALDH1A1MAPK1CCR5HSD11B1KDM4E | |
| SCHEMBL20529154 | 0.82 | ALDH1A1 (0.52) | ALDH1A1MAPK1HSD11B1USP2LMNA | |
| SCHEMBL29848320 | 0.82 | HSD11B1 (0.51) | ALDH1A1MAPK1CCR5HSD11B1USP2 | |
| SCHEMBL4440785 | 0.82 | HSD11B1 (0.51) | ALDH1A1MAPK1CCR5HSD11B1USP2 | |
| SCHEMBL16657347 | 0.81 | CCR5 (0.56) | ALDH1A1MAPK1CCR5HSD11B1 | |
| SCHEMBL24508359 | 0.80 | ALDH1A1 (0.48) | ALDH1A1MAPK1HSD11B1USP2LMNA | |
| SCHEMBL20529086 | 0.80 | PGR (0.53) | ALDH1A1MAPK1HSD11B1USP2LMNA | |
| SCHEMBL24508419 | 0.80 | ALDH1A1 (0.46) | ALDH1A1MAPK1HSD11B1CCR4USP2 |
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-4255420-A1 | COMPOUNDS FOR INHIBITING INOSITOL HEXAKISPHOSPHATE KINASE (IP6K) AND METHODS OF USE THEREOF | Lieber Institute, Inc. (US) | 2023-10-11 | — | — | EP | disclosed |
| WO-2022125524-A1 | COMPOUNDS FOR INHIBITING INOSITOL HEXAKISPHOSPHATE KINASE (IP6K) AND METHODS OF USE THEREOF | LIEBER INSTITUTE, INC. (US) | 2022-06-16 | — | — | WO | disclosed |