Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CA | P42336 | 3/20 | 0.50 |
| ▸ | MTOR | P42345 | 3/20 | 0.50 |
| ▸ | BRAF | P15056 | 6/20 | 0.45 |
| ▸ | KIT | P10721 | 2/20 | 0.42 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.41 |
| ▸ | CCND1 | P24385 | 1/20 | 0.41 |
| ▸ | CCNC | P24863 | 1/20 | 0.41 |
| ▸ | CDK8 | P49336 | 1/20 | 0.41 |
| ▸ | CDK7 | P50613 | 1/20 | 0.41 |
| ▸ | CDK9 | P50750 | 1/20 | 0.41 |
| ▸ | CCNH | P51946 | 1/20 | 0.41 |
| ▸ | MNAT1 | P51948 | 1/20 | 0.41 |
| ▸ | CDK6 | Q00534 | 1/20 | 0.41 |
| ▸ | TNIK | Q9UKE5 | 1/20 | 0.40 |
| ▸ | ABL1 | P00519 | 5/20 | 0.39 |
| ▸ | SRC | P12931 | 3/20 | 0.39 |
| ▸ | KDR | P35968 | 1/20 | 0.38 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.38 |
| ▸ | DCLK1 | O15075 | 1/20 | 0.37 |
| ▸ | DYRK3 | O43781 | 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 | |
|---|---|---|---|---|
| SCHEMBL1366384 | 1.00 | PIK3CA (0.50) | PIK3CAMTORBRAFKITCCNT1 | |
| SCHEMBL1369010 | 0.75 | EPHX2 (0.47) | PIK3CAMTORBRAFKITCDK8 | |
| SCHEMBL1366386 | 0.75 | EPHX2 (0.47) | PIK3CAMTORBRAFKITCDK8 | |
| SCHEMBL4120001 | 0.73 | EPHX2 (0.46) | PIK3CAMTORBRAFKITABL1 | |
| SCHEMBL1366968 | 0.73 | BRAF (0.50) | PIK3CAMTORBRAFKITABL1 | |
| SCHEMBL1365527 | 0.73 | TNIK (0.49) | PIK3CAMTORBRAFKITCCNT1 | |
| SCHEMBL13261063 | 0.73 | ABL1 (0.64) | PIK3CAMTORBRAFKITABL1 | |
| Hydrochloric Acid SCHEMBL1369411 | 0.72 | TNIK (0.49) | PIK3CAMTORBRAFKITCCNT1 | |
| SCHEMBL27754667 | 0.72 | PIK3CA (0.57) | PIK3CAMTORBRAFKITCDK8 | |
| SCHEMBL4128043 | 0.72 | KDR (0.63) | PIK3CAMTORBRAFKITCCNT1 |
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-8067599-B2 | Imidazo [4,5-B] pyridine and pyrrolo [2,3-B] pyridine protein kinase inhibitors | HOFFMAN-LA ROCHE INC. (US) | 2011-11-29 | — | — | US | disclosed |