Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM4 | Q14833 | 1/20 | 0.35 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | TNF | P01375 | 4/20 | 0.32 |
| ▸ | TP53 | P04637 | 2/20 | 0.32 |
| ▸ | CHEK1 | O14757 | 2/20 | 0.32 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | SRC | P12931 | 2/20 | 0.31 |
| ▸ | JAK2 | O60674 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | ABL1 | P00519 | 1/20 | 0.31 |
| ▸ | LCK | P06239 | 1/20 | 0.31 |
| ▸ | FES | P07332 | 1/20 | 0.31 |
| ▸ | RET | P07949 | 1/20 | 0.31 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.31 |
| ▸ | KIT | P10721 | 1/20 | 0.31 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.31 |
| ▸ | PDGFRA | P16234 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL16195229 | 0.91 | BRAF (0.35) | GRM4ADAM17ALDH1A1KDM4ETNF | |
| SCHEMBL13837918 | 0.77 | HDAC8 (0.36) | TP53LMNA | |
| SCHEMBL13837919 | 0.76 | NPC1 (0.32) | EPHB4 | |
| SCHEMBL16195352 | 0.68 | BRAF (0.33) | — | |
| SCHEMBL16195058 | 0.67 | BRAF (0.38) | — | |
| SCHEMBL13734640 | 0.66 | BRAF (0.55) | GRM4 | |
| SCHEMBL17570747 | 0.61 | TNF (0.42) | ADAM17ALDH1A1TNFPOLBMAPT | |
| SCHEMBL122220 | 0.58 | NPC1 (0.46) | GRM4ADAM17ALDH1A1KDM4ECHEK1 | |
| SCHEMBL10114103 | 0.57 | NPC1 (0.59) | ADAM17ALDH1A1KDM4ETNFPOLB | |
| SCHEMBL8771688 | 0.57 | RXRA (0.39) | — |
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-2012148792-A1 | HETEROCYCLIC COMPOUNDS AS B-RAF INHIBITORS FOR TREATMENT OF CANCER | MERCK SHARP & DOHME CORP. (US) | 2012-11-01 | — | — | WO | disclosed |