Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | PDK1 | Q15118 | 2/20 | 0.38 |
| ▸ | PDK2 | Q15119 | 2/20 | 0.38 |
| ▸ | PDK3 | Q15120 | 2/20 | 0.38 |
| ▸ | PDK4 | Q16654 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | AR | P10275 | 2/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.35 |
| ▸ | CETP | P11597 | 1/20 | 0.35 |
| ▸ | GPR35 | Q9HC97 | 3/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | SSTR4 | P31391 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | VNN1 | O95497 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL18668390 | 0.81 | CA2 (0.47) | CA2PDK1PDK2PDK3PDK4 | |
| SCHEMBL20502572 | 0.80 | KDM4E (0.43) | CA2PDK1PDK2PDK3PDK4 | |
| SCHEMBL30307811 | 0.80 | KDM4E (0.43) | CA2PDK1PDK2PDK3PDK4 | |
| SCHEMBL23628489 | 0.78 | RAB9A (0.43) | PDK1PDK2PDK3PDK4KDM4E | |
| SCHEMBL17112949 | 0.77 | PDK1 (0.48) | PDK1PDK2PDK3PDK4KDM4E | |
| SCHEMBL23628498 | 0.75 | ALDH1A1 (0.44) | CA2KDM4EL3MBTL1POLBLMNA | |
| SCHEMBL28328146 | 0.75 | CA2 (0.49) | CA2PDK1PDK2PDK3PDK4 | |
| SCHEMBL17112950 | 0.72 | PDK1 (0.49) | PDK1PDK2PDK3PDK4KDM4E | |
| SCHEMBL22205240 | 0.72 | PDK1 (0.48) | PDK1PDK2PDK3PDK4KDM4E | |
| SCHEMBL856063 | 0.72 | MEN1 (0.53) | KDM4EL3MBTL1NPC1RAB9AMEN1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3596059-B1 | HETEROCYCLIC COMPOUNDS USEFUL AS DUAL ATX/CA INHIBITORS | HOFFMANN LA ROCHE (CH) | 2024-04-24 | — | — | EP | claimed |
| EP-3353178-B1 | BICYCLIC COMPOUNDS AS DUAL ATX/CA INHIBITORS | HOFFMANN LA ROCHE (CH) | 2021-07-14 | — | — | EP | claimed |