Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MLLT1 | Q03111 | 1/20 | 0.52 |
| ▸ | BCAT1 | P54687 | 1/20 | 0.48 |
| ▸ | PYGL | P06737 | 2/20 | 0.48 |
| ▸ | PYGM | P11217 | 1/20 | 0.48 |
| ▸ | DRD4 | P21917 | 1/20 | 0.46 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.45 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.45 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.45 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.45 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.45 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.45 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.45 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.45 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.45 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.45 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.45 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL6834302 | 0.91 | DRD4 (0.56) | MLLT1PYGLPYGMDRD4HRH4 | |
| SCHEMBL5258969 | 0.87 | MLLT1 (0.53) | MLLT1SMYD3HRH4F10FLT3 | |
| SCHEMBL6834814 | 0.87 | MLLT1 (0.53) | MLLT1SMYD3HRH4F10FLT3 | |
| SCHEMBL7067623 | 0.86 | MLLT1 (0.72) | MLLT1PYGLPYGMHDAC3HDAC4 | |
| SCHEMBL7069488 | 0.86 | SMYD3 (0.61) | MLLT1PYGLSMYD3F10 | |
| SCHEMBL5256019 | 0.84 | CCKBR (0.57) | MLLT1PYGLPYGMFLT3CCKBR | |
| SCHEMBL27558367 | 0.84 | CCKBR (0.57) | MLLT1PYGLPYGMFLT3CCKBR | |
| SCHEMBL5259392 | 0.83 | KDM4E (0.54) | MLLT1PYGLPYGMSMYD3MEN1 | |
| SCHEMBL5259850 | 0.82 | MLLT1 (0.48) | MLLT1SMYD3F10 | |
| SCHEMBL6832382 | 0.82 | MLLT1 (0.48) | MLLT1SMYD3F10 |
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 |