Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
| ▸ | DYRK1A | Q13627 | 4/20 | 0.42 |
| ▸ | NOS1 | P29475 | 1/20 | 0.39 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.38 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.33 |
| ▸ | CLK1 | P49759 | 1/20 | 0.32 |
| ▸ | DAO | P14920 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.31 |
| ▸ | MAP2K2 | P36507 | 1/20 | 0.30 |
| ▸ | MAP2K1 | Q02750 | 1/20 | 0.30 |
| ▸ | CDK9 | P50750 | 1/20 | 0.30 |
| ▸ | DYRK2 | Q92630 | 1/20 | 0.30 |
| ▸ | DYRK1B | Q9Y463 | 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 | |
|---|---|---|---|---|
| SCHEMBL28726348 | 0.79 | DAO (0.50) | CA12CA9DYRK1ANOS1HRH4 | |
| SCHEMBL20504985 | 0.78 | DAO (0.49) | CA12CA9DYRK1AHRH4NUDT1 | |
| SCHEMBL28907064 | 0.74 | ALDH1A1 (0.49) | DYRK1ACLK1KDM4EALDH1A1HPGD | |
| SCHEMBL21877855 | 0.74 | CA12 (0.53) | CA12CA9DYRK1ANOS1HRH4 | |
| SCHEMBL24629881 | 0.73 | XDH (0.46) | ALDH1A1MAPT | |
| SCHEMBL29769118 | 0.73 | XDH (0.46) | ALDH1A1MAPT | |
| SCHEMBL17673224 | 0.72 | CA12 (0.52) | CA12CA9DYRK1ANOS1HRH4 | |
| SCHEMBL6505957 | 0.71 | CA12 (0.50) | CA12CA9DYRK1ANOS1HRH4 | |
| SCHEMBL597517 | 0.71 | CA12 (0.50) | CA12CA9DYRK1ANOS1HRH4 | |
| SCHEMBL993313 | 0.70 | AHR (0.41) | DYRK1ANOS1HRH4NUDT1CLK1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022150574-A1 | INHIBITORS OF MYCOBACTERIUM TUBERCULOSIS LIPOAMIDE DEHYDROGENASE | CORNELL UNIVERSITY (US) | 2022-07-14 | — | — | WO | disclosed |