Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | LMNA | P02545 | 4/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.47 |
| ▸ | TSHR | P16473 | 3/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.42 |
| ▸ | KDM4A | O75164 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.41 |
| ▸ | GSK3A | P49840 | 1/20 | 0.41 |
| ▸ | GSK3B | P49841 | 1/20 | 0.41 |
| ▸ | HPGDS | O60760 | 1/20 | 0.40 |
| ▸ | BRD4 | O60885 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL29956774 | 0.82 | ALDH1A1 (0.46) | ALDH1A1LMNANPSR1TSHRKDM4E | |
| SCHEMBL6104023 | 0.82 | ALDH1A1 (0.54) | ALDH1A1LMNANPSR1TSHRKDM4E | |
| SCHEMBL16304454 | 0.80 | CCR9 (0.44) | ALDH1A1KDM4EDRD2 | |
| SCHEMBL4033566 | 0.80 | ALDH1A1 (0.47) | ALDH1A1LMNANPSR1TP53MDM2 | |
| SCHEMBL1958352 | 0.78 | POLB (0.59) | ALDH1A1LMNANPSR1TSHRKDM4E | |
| SCHEMBL16372047 | 0.78 | ALDH1A1 (0.46) | ALDH1A1LMNANPSR1TSHRKDM4E | |
| SCHEMBL9060135 | 0.77 | AGTR1 (0.49) | ALDH1A1LMNANPSR1 | |
| SCHEMBL28179111 | 0.77 | BRD4 (0.47) | ALDH1A1LMNANPSR1TSHRKDM4E | |
| SCHEMBL2276439 | 0.75 | PTGER4 (0.38) | — | |
| SCHEMBL21383638 | 0.72 | ALDH1A1 (0.44) | ALDH1A1LMNANPSR1TSHRKDM4E |
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 |