Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LCK | P06239 | 10/20 | 0.54 |
| ▸ | AAK1 | Q2M2I8 | 3/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RECQL | P46063 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | ATR | Q13535 | 1/20 | 0.37 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.37 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.37 |
| ▸ | TAS1R2 | Q8TE23 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL25243093 | 0.91 | LCK (0.62) | LCKAAK1MAPTCA12CA1 | |
| SCHEMBL22458780 | 0.82 | LCK (0.52) | LCKAAK1MAPTCA12CA1 | |
| SCHEMBL21317864 | 0.80 | LCK (0.50) | LCKAAK1MAPTCA12CA1 | |
| SCHEMBL17528556 | 0.79 | LCK (0.49) | LCKCA12CA1CA9ATR | |
| SCHEMBL3042736 | 0.78 | LCK (0.43) | LCKCA12CA1CA9ALDH1A1 | |
| SCHEMBL20865564 | 0.77 | LCK (0.50) | LCKCA12CA1CA9ALDH1A1 | |
| SCHEMBL3131919 | 0.77 | LCK (0.60) | LCKCA12CA1CA9ALDH1A1 | |
| SCHEMBL22314427 | 0.76 | LCK (0.45) | LCKAAK1NPC1RECQLRAB9A | |
| SCHEMBL28561049 | 0.76 | LCK (0.41) | LCKCA12CA1CA9ATR | |
| SCHEMBL31089179 | 0.75 | ACHE (0.38) | LCKCA12CA1CA9ATR |
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-2024175907-A1 | MACROCYCLIC ALPHA4BETA7 INTEGRIN INHIBITORS | C4X DISCOVERY LIMITED (GB) | 2024-08-29 | — | — | WO | disclosed |