Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAP2K1 | Q02750 | 3/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | PADI4 | Q9UM07 | 1/20 | 0.37 |
| ▸ | PSMB11 | A5LHX3 | 1/20 | 0.36 |
| ▸ | PSMA7 | O14818 | 1/20 | 0.36 |
| ▸ | PSMB1 | P20618 | 1/20 | 0.36 |
| ▸ | PSMA1 | P25786 | 1/20 | 0.36 |
| ▸ | PSMA2 | P25787 | 1/20 | 0.36 |
| ▸ | PSMA3 | P25788 | 1/20 | 0.36 |
| ▸ | PSMA4 | P25789 | 1/20 | 0.36 |
| ▸ | PSMB8 | P28062 | 1/20 | 0.36 |
| ▸ | PSMB9 | P28065 | 1/20 | 0.36 |
| ▸ | PSMA5 | P28066 | 1/20 | 0.36 |
| ▸ | PSMB4 | P28070 | 1/20 | 0.36 |
| ▸ | PSMB6 | P28072 | 1/20 | 0.36 |
| ▸ | PSMB5 | P28074 | 1/20 | 0.36 |
| ▸ | PSMB10 | P40306 | 1/20 | 0.36 |
| ▸ | PSMB3 | P49720 | 1/20 | 0.36 |
| ▸ | PSMB2 | P49721 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL29954315 | 0.88 | MAP2K1 (0.43) | MAP2K1CYP1A2CYP2C9NPC1SMN1; SMN2 | |
| SCHEMBL237491 | 0.82 | ALDH1A1 (0.43) | ALDH1A1L3MBTL1CA1CA2GAA | |
| SCHEMBL29597336 | 0.82 | ALDH1A1 (0.43) | ALDH1A1L3MBTL1CA1CA2GAA | |
| SCHEMBL29919280 | 0.82 | GAA (0.53) | MAP2K1PADI4PSMB11PSMA7PSMB1 | |
| SCHEMBL3326392 | 0.82 | GAA (0.53) | MAP2K1PADI4PSMB11PSMA7PSMB1 | |
| SCHEMBL29952959 | 0.81 | ALOX5 (0.42) | PADI4PSMB11PSMA7PSMB1PSMA1 | |
| SCHEMBL4063989 | 0.81 | ALOX5 (0.42) | PADI4PSMB11PSMA7PSMB1PSMA1 | |
| SCHEMBL945932 | 0.80 | CES2 (0.55) | MAP2K1CYP1A2CYP2C9PSMB11PSMA7 | |
| SCHEMBL14484567 | 0.78 | POLB (0.50) | PSMB8PSMB5NPC1RAB9A | |
| SCHEMBL29954131 | 0.78 | LMNA (0.42) | PADI4PSMB11PSMA7PSMB1PSMA1 |
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 |