Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 5/20 | 0.57 |
| ▸ | NPC1 | O15118 | 4/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.56 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.56 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.50 |
| ▸ | PIK3CG | P48736 | 2/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.50 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.50 |
| ▸ | LCK | P06239 | 1/20 | 0.48 |
| ▸ | CSNK1D | P48730 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | CLK1 | P49759 | 1/20 | 0.47 |
| ▸ | ABL1 | P00519 | 3/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL31287024 | 0.83 | MAPT (0.57) | RAB9ANPC1CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL31287057 | 0.81 | RAB9A (0.51) | RAB9ANPC1CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL13615421 | 0.81 | ABL1 (0.56) | PIK3CAPIK3CGPIK3CDPIK3CBABL1 | |
| SCHEMBL3717929 | 0.81 | ABL1 (0.56) | PIK3CAPIK3CGPIK3CDPIK3CBABL1 | |
| SCHEMBL1302829 | 0.81 | RAB9A (0.64) | RAB9ANPC1CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL29809436 | 0.81 | RAB9A (0.76) | RAB9ANPC1CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL10118217 | 0.81 | RAB9A (0.76) | RAB9ANPC1CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL6068192 | 0.80 | RAB9A (0.57) | RAB9ANPC1CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL1303393 | 0.80 | RAB9A (0.69) | RAB9ANPC1CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL3710525 | 0.80 | PIK3CA (0.55) | RAB9ANPC1PIK3CAPIK3CGSMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009133127-A1 | FUSED BICYCLIC COMPOUNDS AND USE THEREOF AS PI3K INHIBITORS | MERCK SERONO S.A. (CH) | 2009-11-05 | — | — | WO | disclosed |
| WO-2009133127-A1 | FUSED BICYCLIC COMPOUNDS AND USE THEREOF AS PI3K INHIBITORS | MERCK SERONO S.A. (CH) | 2009-11-05 | — | — | WO | disclosed |