Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A3 | P47895 | 6/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.41 |
| ▸ | ALDH3A1 | P30838 | 5/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.33 |
| ▸ | AOX1 | Q06278 | 1/20 | 0.33 |
| ▸ | TRIM24 | O15164 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | ALDH5A1 | P51649 | 1/20 | 0.33 |
| ▸ | ABAT | P80404 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | TRIM33 | Q9UPN9 | 1/20 | 0.33 |
| ▸ | SRC | P12931 | 1/20 | 0.32 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.32 |
| ▸ | PARP3 | Q9Y6F1 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL2555361 | 0.90 | ALDH1A3 (0.38) | ALDH1A3ALDH1A1ALDH3A1TSHRKDM4E | |
| SCHEMBL29952977 | 0.88 | ALDH1A1 (0.44) | ALDH1A3ALDH1A1ALDH3A1KDM4E | |
| SCHEMBL2562764 | 0.88 | ALDH1A1 (0.40) | ALDH1A3ALDH1A1ALDH3A1TSHRKDM4E | |
| SCHEMBL2560571 | 0.82 | ALDH1A1 (0.37) | ALDH1A3ALDH1A1ALDH3A1TSHRKDM4E | |
| SCHEMBL29952786 | 0.81 | ALDH1A3 (0.40) | ALDH1A3ALDH1A1ALDH3A1TSHRKDM4E | |
| SCHEMBL29952265 | 0.79 | ALDH1A1 (0.37) | ALDH1A3ALDH1A1ALDH3A1HPGD | |
| SCHEMBL9362085 | 0.78 | ALDH1A3 (0.67) | ALDH1A3ALDH1A1ALDH3A1TSHRCYP2A6 | |
| SCHEMBL19594987 | 0.78 | ALDH1A1 (0.50) | ALDH1A3ALDH1A1ALDH3A1TSHRKDM4E | |
| SCHEMBL29954099 | 0.77 | ALDH1A3 (0.49) | ALDH1A3ALDH1A1ALDH3A1KDM4ECYP2A6 | |
| SCHEMBL29951697 | 0.76 | ALDH1A3 (0.48) | ALDH1A3ALDH1A1ALDH3A1TSHRHPGD |
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 |