Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | CES2 | O00748 | 2/20 | 0.38 |
| ▸ | CES1 | P23141 | 2/20 | 0.38 |
| ▸ | CA3 | P07451 | 1/20 | 0.37 |
| ▸ | CA6 | P23280 | 1/20 | 0.37 |
| ▸ | CA5A | P35218 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 1/20 | 0.37 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.37 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | NFE2L2 | Q16236 | 3/20 | 0.34 |
| ▸ | IDO1 | P14902 | 2/20 | 0.34 |
| ▸ | AGXT | P21549 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | USP2 | O75604 | 1/20 | 0.31 |
| ▸ | DHFR | P00374 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL12136644 | 1.00 | ALDH1A1 (0.42) | ALDH1A1CES2CES1CA3CA6 | |
| SCHEMBL29956184 | 0.80 | CA3 (0.42) | ALDH1A1CES2CES1CA3CA6 | |
| SCHEMBL12138250 | 0.76 | NISCH (0.33) | ALDH1A1CA3CA6CA5ACA9 | |
| SCHEMBL29954268 | 0.76 | DGAT1 (0.39) | ALDH1A1TDP1CYP2A6LMNAHPGD | |
| SCHEMBL29952598 | 0.76 | PKM (0.34) | ALDH1A1CA3CA6CA5ACA9 | |
| SCHEMBL10252634 | 0.76 | ESR1 (0.41) | — | |
| SCHEMBL2628176 | 0.76 | DGAT1 (0.39) | ALDH1A1TDP1CYP2A6LMNAHPGD | |
| SCHEMBL29954160 | 0.76 | CCR2 (0.34) | ALDH1A1TDP1CYP2A6LMNAKMT2A | |
| SCHEMBL2741041 | 0.76 | ACHE (0.35) | ALDH1A1CA3CA6CA5ACA9 | |
| SCHEMBL11862205 | 0.75 | ALDH1A1 (0.42) | ALDH1A1CES2CES1CA3CA6 |
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 |