Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
| ▸ | RECQL | P46063 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.44 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.44 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.44 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.43 |
| ▸ | GCK | P35557 | 1/20 | 0.43 |
| ▸ | ABCB11 | O95342 | 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 | |
|---|---|---|---|---|
| SCHEMBL11421791 | 0.87 | KMT2A (0.61) | KMT2AALDH1A1GAACA12CA1 | |
| SCHEMBL11423717 | 0.87 | NPSR1 (0.53) | KMT2AALDH1A1NPSR1RECQLSMN1; SMN2 | |
| SCHEMBL11054398 | 0.85 | KMT2A (0.45) | KMT2AALDH1A1GAANPSR1TP53 | |
| SCHEMBL5022147 | 0.82 | GAA (0.50) | KMT2AALDH1A1GAASMN1; SMN2PDK1 | |
| SCHEMBL20560160 | 0.80 | GAA (0.51) | KMT2AALDH1A1GAAPDK1PDK2 | |
| SCHEMBL11428898 | 0.79 | ALDH1A1 (0.44) | KMT2AALDH1A1NPSR1RECQLSMN1; SMN2 | |
| SCHEMBL420428 | 0.79 | GAA (0.52) | KMT2AGAANPSR1TP53RECQL | |
| SCHEMBL21681228 | 0.78 | TSHR (0.54) | ALDH1A1GAATP53KDM4ELMNA | |
| SCHEMBL17855986 | 0.78 | PDK1 (0.58) | KMT2AALDH1A1GAANPSR1PDK1 | |
| SCHEMBL15625387 | 0.78 | GAA (0.46) | KMT2AGAAPDK1PDK2PDK3 |
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-4183956-A | Method for treating gastrointestinal spasms, gastrointestinal hyperacidity and hypertensive disorders with amidinoureas | WILLIAM H. RORER, INC. (US) | 1980-01-15 | — | — | US | disclosed |