Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK4 | P11802 | 4/20 | 0.48 |
| ▸ | CCND1 | P24385 | 4/20 | 0.48 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.43 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.41 |
| ▸ | PPP1R15A | O75807 | 1/20 | 0.41 |
| ▸ | MELK | Q14680 | 1/20 | 0.41 |
| ▸ | PPP1R15B | Q5SWA1 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 4/20 | 0.40 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.40 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | CCNB2 | O95067 | 2/20 | 0.40 |
| ▸ | CDK1 | P06493 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL10442857 | 1.00 | CDK4 (0.48) | CDK4CCND1PTGS2HDAC4HDAC1 | |
| SCHEMBL10442856 | 1.00 | CDK4 (0.48) | CDK4CCND1PTGS2HDAC4HDAC1 | |
| SCHEMBL97837 | 0.83 | CDK4 (0.57) | CDK4CCND1HDAC1ALDH1A1KMT2A | |
| SCHEMBL629076 | 0.83 | CDK4 (0.57) | CDK4CCND1HDAC1ALDH1A1KMT2A | |
| SCHEMBL28870802 | 0.80 | CDK4 (0.55) | CDK4CCND1HDAC1ALDH1A1KMT2A | |
| SCHEMBL18345581 | 0.80 | CDK4 (0.46) | CDK4CCND1HDAC1ALDH1A1KMT2A | |
| SCHEMBL18345584 | 0.80 | CDK4 (0.46) | CDK4CCND1HDAC1ALDH1A1KMT2A | |
| SCHEMBL28870804 | 0.80 | CDK4 (0.55) | CDK4CCND1HDAC1ALDH1A1KMT2A | |
| SCHEMBL16934060 | 0.79 | ALDH1A1 (0.45) | PTGS2HDAC4HDAC1ALDH1A1KMT2A | |
| SCHEMBL16934056 | 0.79 | ALDH1A1 (0.45) | PTGS2HDAC4HDAC1ALDH1A1KMT2A |
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 |