Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 2/20 | 0.35 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.33 |
| ▸ | MEP1B | Q16820 | 1/20 | 0.33 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.31 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.31 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | HTR7 | P34969 | 1/20 | 0.30 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.30 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.30 |
| ▸ | CA3 | P07451 | 1/20 | 0.30 |
| ▸ | CA6 | P23280 | 1/20 | 0.30 |
| ▸ | CA5A | P35218 | 1/20 | 0.30 |
| ▸ | CA9 | Q16790 | 1/20 | 0.30 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.30 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL8149801 | 1.00 | ACHE (0.35) | ACHENISCHMEP1BPTGS1PTGS2 | |
| SCHEMBL2741041 | 0.82 | ACHE (0.35) | ACHENISCHPTGS1PTGS2ALOX5 | |
| SCHEMBL8149215 | 0.78 | CYP1A2 (0.42) | CYP1A1CYP1A2CYP2A6 | |
| SCHEMBL8155348 | 0.78 | CYP1A2 (0.42) | CYP1A1CYP1A2CYP2A6 | |
| SCHEMBL8974919 | 0.76 | TDP1 (0.42) | ACHEALDH1A1MEN1KMT2ACYP1A2 | |
| SCHEMBL29956184 | 0.76 | CA3 (0.42) | ALDH1A1CA3CA6CA5ACA9 | |
| SCHEMBL29807846 | 0.76 | TDP1 (0.42) | ACHEALDH1A1MEN1KMT2ACYP1A2 | |
| SCHEMBL12126083 | 0.73 | ALDH1A1 (0.35) | ALDH1A1CYP2A6 | |
| SCHEMBL9272564 | 0.73 | ALDH1A1 (0.52) | ACHEALDH1A1MEN1MAPTKMT2A | |
| SCHEMBL8148931 | 0.73 | CYP3A4 (0.46) | ALDH1A1MAPTCYP2A6 |
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 |