Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AURKA | O14965 | 2/20 | 0.54 |
| ▸ | CDK1 | P06493 | 1/20 | 0.50 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.50 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.50 |
| ▸ | CDK2 | P24941 | 1/20 | 0.50 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.50 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.50 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.50 |
| ▸ | GRM5 | P41594 | 3/20 | 0.49 |
| ▸ | ABL1 | P00519 | 1/20 | 0.49 |
| ▸ | BCR | P11274 | 1/20 | 0.49 |
| ▸ | EGFR | P00533 | 2/20 | 0.48 |
| ▸ | ITK | Q08881 | 1/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 4/20 | 0.47 |
| ▸ | NPC1 | O15118 | 3/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | USP2 | O75604 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | TNNI3K | Q59H18 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL21443485 | 0.83 | AURKA (0.62) | AURKACDK1CCNB1CCNA2CDK2 | |
| SCHEMBL4568646 | 0.81 | NFKB1 (0.58) | AURKACDK1CCNB1CCNA2CDK2 | |
| SCHEMBL15332714 | 0.81 | HDAC3 (0.59) | GRM5ABL1BCREGFRSYK | |
| SCHEMBL15331296 | 0.81 | SYK (0.56) | AURKACDK1CCNA2CDK2CDK5 | |
| SCHEMBL13401823 | 0.80 | NFKB1 (0.56) | AURKANFKB1ABL1BCRNPSR1 | |
| SCHEMBL23094602 | 0.80 | HDAC6 (0.53) | AURKACDK1CCNB1CCNA2CDK2 | |
| SCHEMBL3949026 | 0.78 | NFKB1 (0.61) | AURKACDK1CCNB1CCNA2CDK2 | |
| SCHEMBL9185907 | 0.77 | NPSR1 (0.58) | NFKB1EGFRNPSR1RAB9ANPC1 | |
| SCHEMBL30033167 | 0.76 | SYK (0.54) | AURKARAB9ANPC1SMN1; SMN2ALDH1A1 | |
| SCHEMBL28393752 | 0.76 | RAB9A (0.75) | AURKACDK1CCNB1CCNA2CDK2 |
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 |