Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 2/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | GFER | P55789 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.38 |
| ▸ | NQO2 | P16083 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 3/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | BCHE | P06276 | 1/20 | 0.35 |
| ▸ | STK17B | O94768 | 1/20 | 0.35 |
| ▸ | STK17A | Q9UEE5 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL13188592 | 0.89 | HTT (0.43) | HTTNPSR1ALDH1A1GFERTDP1 | |
| SCHEMBL24387803 | 0.81 | HTT (0.51) | HTTNPSR1ALDH1A1GFERTDP1 | |
| SCHEMBL20469589 | 0.79 | TDP1 (0.46) | HTTNPSR1TDP1GAAMEN1 | |
| SCHEMBL27735562 | 0.77 | HTT (0.44) | HTTNPSR1ALDH1A1GFERTDP1 | |
| SCHEMBL19384814 | 0.75 | HTT (0.48) | HTTNPSR1ALDH1A1GFERTDP1 | |
| SCHEMBL1785524 | 0.74 | HTT (0.50) | HTTNPSR1ALDH1A1GFERTDP1 | |
| SCHEMBL3951349 | 0.73 | HTT (0.51) | HTTNPSR1ALDH1A1GFERTDP1 | |
| SCHEMBL18342595 | 0.72 | HTT (0.47) | HTTNPSR1ALDH1A1GFERTDP1 | |
| SCHEMBL3710337 | 0.70 | — | — | |
| SCHEMBL24387685 | 0.69 | HTT (0.53) | HTTNPSR1ALDH1A1GFERTDP1 |
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 |