Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK1 | Q15118 | 2/20 | 0.35 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.35 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.35 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.34 |
| ▸ | DPP4 | P27487 | 3/20 | 0.34 |
| ▸ | DPP8 | Q6V1X1 | 3/20 | 0.34 |
| ▸ | POLB | P06746 | 2/20 | 0.34 |
| ▸ | ARG1 | P05089 | 2/20 | 0.33 |
| ▸ | ARG2 | P78540 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.32 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL29412367 | 1.00 | PDK1 (0.35) | PDK1PDK2PDK3HDAC8HDAC6 | |
| SCHEMBL2849479 | 0.89 | POLB (0.43) | HDAC8HDAC6HDAC1DPP4DPP8 | |
| SCHEMBL2843566 | 0.89 | POLB (0.43) | HDAC8HDAC6HDAC1DPP4DPP8 | |
| SCHEMBL5079416 | 0.89 | POLB (0.43) | HDAC8HDAC6HDAC1DPP4DPP8 | |
| SCHEMBL2571814 | 0.82 | PDK1 (0.36) | PDK1PDK2PDK3HDAC8HDAC6 | |
| SCHEMBL27038539 | 0.82 | PDK1 (0.36) | PDK1PDK2PDK3HDAC8HDAC6 | |
| SCHEMBL19687314 | 0.81 | TSHR (0.44) | PDK1PDK2PDK3HDAC8HDAC6 | |
| SCHEMBL13162310 | 0.78 | PDK1 (0.61) | PDK1PDK2PDK3 | |
| SCHEMBL25558007 | 0.77 | POLB (0.34) | PDK1PDK2PDK3HDAC8HDAC6 | |
| SCHEMBL2308749 | 0.75 | — | — |
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-2024081363-A1 | COMPOSITION COMPRISING A FIRST RAS INHIBITOR, SECOND RAS INHIBITOR AND A SHP2 INHIBITOR FOR USE IN THE TREATMENT OF CANCER | Revolution Medicines, Inc. (US) | 2024-04-18 | — | — | WO | disclosed |