Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.45 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.45 |
| ▸ | KIF11 | P52732 | 1/20 | 0.45 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.45 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.45 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.45 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.45 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.45 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.45 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.45 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.45 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | UNG | P13051 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | MMP1 | P03956 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL527598 | 1.00 | NPSR1 (0.46) | NPSR1HDAC1HDAC6KIF11HDAC3 | |
| SCHEMBL20973034 | 0.85 | MMP1 (0.41) | HDAC4ALDH1A1MAPTUNGMMP1 | |
| SCHEMBL14732573 | 0.85 | NPSR1 (0.45) | NPSR1HDAC1HDAC6KIF11HDAC3 | |
| SCHEMBL209625 | 0.85 | CYP2D6 (0.54) | HDAC4ALDH1A1MAPTUNGTDP1 | |
| SCHEMBL1899410 | 0.84 | NPSR1 (0.57) | NPSR1HDAC1HDAC6KIF11HDAC3 | |
| SCHEMBL13920482 | 0.83 | UNG (0.43) | HDAC4KMT2AALDH1A1KDM4EMAPT | |
| SCHEMBL12749892 | 0.81 | NPSR1 (0.47) | NPSR1HDAC1HDAC6KIF11HDAC3 | |
| SCHEMBL13290341 | 0.80 | ADH1B (0.52) | NPSR1HDAC1HDAC6KIF11HDAC3 | |
| SCHEMBL19185450 | 0.80 | KMT2A (0.46) | KMT2AALDH1A1KDM4EMAPTUNG | |
| SCHEMBL209838 | 0.79 | GLS (0.52) | HDAC1HDAC6HDAC10 |
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 |
|---|---|---|---|---|---|---|---|
| US-20220340893-A1 | BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES | NUEVOLUTION A/S (DK) | 2022-10-27 | — | — | US | disclosed |