Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 3/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.39 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | SRC | P12931 | 1/20 | 0.33 |
| ▸ | BRAF | P15056 | 1/20 | 0.33 |
| ▸ | KDR | P35968 | 1/20 | 0.33 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.33 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.33 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL29955468 | 0.83 | KMT2A (0.43) | MAPTRAB9AL3MBTL1 | |
| SCHEMBL2562844 | 0.83 | CA1 (0.37) | PTGS2CYP2C9L3MBTL1PTGS1CYP2D6 | |
| SCHEMBL29953059 | 0.81 | NPSR1 (0.47) | PTGS2CYP2C9PDPK1HIF1AKDM4E | |
| SCHEMBL2556063 | 0.80 | PTGS1 (0.37) | PTGS2MAPTRAB9AL3MBTL1PTGS1 | |
| SCHEMBL29953701 | 0.78 | NPSR1 (0.47) | PTGS2CYP2C9PDPK1KDM4ENPSR1 | |
| SCHEMBL2557923 | 0.76 | CA1 (0.35) | PTGS2PTGS1 | |
| SCHEMBL2558155 | 0.75 | MAPT (0.46) | PTGS2KDM4EMAPTRAB9APTGS1 | |
| SCHEMBL29951698 | 0.74 | ALDH1A1 (0.37) | CYP2C9KDM4EMAPTL3MBTL1CYP2D6 | |
| SCHEMBL2556085 | 0.73 | — | — | |
| SCHEMBL5904596 | 0.73 | BRAF (0.43) | PTGS2CYP2C9PDPK1ATMKDM4E |
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 |