Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MLLT1 | Q03111 | 1/20 | 0.53 |
| ▸ | SMAD3 | P84022 | 1/20 | 0.52 |
| ▸ | FLT3 | P36888 | 4/20 | 0.50 |
| ▸ | PDGFRB | P09619 | 2/20 | 0.50 |
| ▸ | ABL1 | P00519 | 1/20 | 0.50 |
| ▸ | KIT | P10721 | 1/20 | 0.50 |
| ▸ | BCR | P11274 | 1/20 | 0.50 |
| ▸ | SRC | P12931 | 1/20 | 0.46 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.45 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.45 |
| ▸ | F10 | P00742 | 6/20 | 0.43 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.43 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.43 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.43 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.43 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.43 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.43 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.43 |
| ▸ | CLK1 | P49759 | 1/20 | 0.43 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL5258969 | 1.00 | MLLT1 (0.53) | MLLT1SMAD3FLT3PDGFRBABL1 | |
| SCHEMBL6832859 | 0.87 | MLLT1 (0.52) | MLLT1FLT3SMYD3F10CCKBR | |
| SCHEMBL7067623 | 0.87 | MLLT1 (0.72) | MLLT1FLT3SMYD3 | |
| SCHEMBL7069488 | 0.87 | SMYD3 (0.61) | MLLT1SMYD3F10F2 | |
| SCHEMBL27558367 | 0.85 | CCKBR (0.57) | MLLT1FLT3CCKBRCGAS | |
| SCHEMBL5256019 | 0.85 | CCKBR (0.57) | MLLT1FLT3CCKBRCGAS | |
| SCHEMBL5259392 | 0.84 | KDM4E (0.54) | MLLT1SMYD3F10CCKBRF2 | |
| SCHEMBL5259850 | 0.83 | MLLT1 (0.48) | MLLT1SMYD3F10 | |
| SCHEMBL6832382 | 0.83 | MLLT1 (0.48) | MLLT1SMYD3F10 | |
| SCHEMBL6839388 | 0.81 | MLLT1 (0.42) | MLLT1SMAD3FLT3PDGFRBABL1 |
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-6747053-B2 | Heteroaryl nitriles | ROCHE PALO ALTO LLC | 2004-06-08 | — | — | US | disclosed |