Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK1 | Q15118 | 17/20 | 0.68 |
| ▸ | PDK2 | Q15119 | 4/20 | 0.57 |
| ▸ | PDK4 | Q16654 | 3/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | USP2 | O75604 | 1/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.50 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL16591868 | 0.81 | PDK1 (1.00) | PDK1PDK2PDK4CYP3A4CYP2C9 | |
| SCHEMBL21644709 | 0.79 | CYP3A4 (0.61) | CYP3A4CYP2C9 | |
| SCHEMBL9189058 | 0.79 | TP53 (0.58) | PDK1PDK2PDK4CYP3A4CYP2C9 | |
| SCHEMBL9806551 | 0.77 | PDK2 (0.70) | PDK1PDK2PDK4CYP3A4PDK3 | |
| SCHEMBL9190711 | 0.77 | MAOB (0.48) | PDK1PDK2PDK4PDK3 | |
| SCHEMBL530129 | 0.76 | TP53 (0.53) | CYP3A4CYP2C9MEN1GAAKMT2A | |
| SCHEMBL16591829 | 0.76 | PDK1 (0.82) | PDK1PDK2PDK4 | |
| SCHEMBL16735626 | 0.76 | PDK1 (0.46) | PDK1PDK2PDK4CYP3A4CYP2C9 | |
| SCHEMBL9051702 | 0.75 | NPC1 (0.57) | PDK1CYP3A4CYP2C9MEN1GAA | |
| SCHEMBL9001626 | 0.75 | ADRA2C (0.65) | CYP3A4CYP2C9MEN1KMT2A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0669909-A1 | SUBSTITUTED AMIDINO COMPOUNDS, THEIR MANUFACTURE AND METHODS OF TREATMENT | Novartis AG (CH) | 1995-09-06 | — | — | EP | disclosed |
| WO-1994011341-A1 | SUBSTITUTED AMIDINO COMPOUNDS, THEIR MANUFACTURE AND METHODS OF TREATMENT | CIBA-GEIGY AG (CH) | 1994-05-26 | — | — | WO | disclosed |