Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 4/20 | 0.35 |
| ▸ | KIF11 | P52732 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.33 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.33 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.33 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.33 |
| ▸ | ALDH1A3 | P47895 | 2/20 | 0.33 |
| ▸ | KDM1A | O60341 | 2/20 | 0.32 |
| ▸ | KDM1B | Q8NB78 | 1/20 | 0.32 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.31 |
| ▸ | AKR1B1 | P15121 | 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 | |
|---|---|---|---|---|
| SCHEMBL2979640 | 1.00 | ALDH1A1 (0.42) | ALDH1A1SMN1; SMN2KDM4EPTGS2RAB9A | |
| SCHEMBL3586405 | 0.85 | ALDH1A1 (0.46) | ALDH1A1SMN1; SMN2KDM4EPTGS2RAB9A | |
| SCHEMBL26428565 | 0.84 | CHRNB2 (0.43) | ALDH1A1SMN1; SMN2KDM4EPTGS2RAB9A | |
| SCHEMBL16958394 | 0.81 | ALDH1A1 (0.37) | ALDH1A1TDP1KDM1AKDM1B | |
| SCHEMBL16951375 | 0.81 | KDM1A (0.32) | KDM1AKDM1B | |
| SCHEMBL24666020 | 0.79 | ALDH1A1 (0.49) | ALDH1A1SMN1; SMN2KDM4EPTGS2RAB9A | |
| SCHEMBL29820680 | 0.79 | ALDH1A1 (0.49) | ALDH1A1SMN1; SMN2KDM4EPTGS2RAB9A | |
| SCHEMBL16056266 | 0.78 | PTGS1 (0.45) | ALDH1A1SMN1; SMN2KDM4EPTGS2KIF11 | |
| SCHEMBL8250780 | 0.77 | KDM4E (0.55) | ALDH1A1KDM4EPTGS2RAB9AHSD17B10 | |
| SCHEMBL26049082 | 0.77 | ALDH1A1 (0.42) | ALDH1A1KDM4EPTGS2RAB9AHSD17B10 |
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 |