Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 6/20 | 0.52 |
| ▸ | NPC1 | O15118 | 5/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.52 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 3/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | CLK1 | P49759 | 2/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | CSNK1D | P48730 | 1/20 | 0.43 |
| ▸ | ABL1 | P00519 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL3711782 | 0.92 | RAB9A (0.49) | RAB9ANPC1CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL3709446 | 0.91 | RAB9A (0.48) | RAB9ANPC1CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL3709179 | 0.83 | NPC1 (0.42) | RAB9ANPC1SMN1; SMN2ABL1 | |
| SCHEMBL13188347 | 0.83 | ABL1 (0.51) | RAB9ANPC1SMN1; SMN2ABL1 | |
| SCHEMBL13188914 | 0.83 | ABL1 (0.47) | RAB9ANPC1SMN1; SMN2ABL1 | |
| SCHEMBL13188193 | 0.83 | ABL1 (0.47) | ABL1 | |
| SCHEMBL3717589 | 0.82 | PTGES (0.53) | RAB9ANPC1SMN1; SMN2ABL1 | |
| SCHEMBL3714896 | 0.82 | PIK3CG (0.58) | ABL1 | |
| SCHEMBL13188912 | 0.82 | PIK3CA (0.43) | RAB9ANPC1SMN1; SMN2ABL1 | |
| SCHEMBL13188434 | 0.82 | PIK3CA (0.46) | CYP3A4ABL1 |
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-2010100144-A1 | FUSED BICYCLIC COMPOUNDS AS INHIBITORS FOR PI3 KINASE | MERCK SERONO S.A. (CH) | 2010-09-10 | — | — | WO | disclosed |
| WO-2010100144-A1 | FUSED BICYCLIC COMPOUNDS AS INHIBITORS FOR PI3 KINASE | MERCK SERONO S.A. (CH) | 2010-09-10 | — | — | WO | disclosed |