Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | NQO2 | P16083 | 1/20 | 0.34 |
| ▸ | HTR6 | P50406 | 1/20 | 0.33 |
| ▸ | POLR1A | O95602 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | USP2 | O75604 | 2/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | ESR1 | P03372 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CASP1 | P29466 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | CNR1 | P21554 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL28199765 | 0.72 | TP53 (0.65) | TP53ALDH1A1 | |
| SCHEMBL377726 | 0.72 | CDK4 (0.33) | HTTALDH1A1CA12BRD4BRPF1 | |
| SCHEMBL16235881 | 0.69 | ALDH1A1 (0.41) | HTTTP53ALDH1A1USP2MEN1 | |
| SCHEMBL6750562 | 0.68 | HTT (0.37) | HTTALDH1A1USP2MEN1ESR1 | |
| SCHEMBL5729887 | 0.68 | ALDH1A1 (0.44) | TP53ALDH1A1MEN1CYP1A2CYP2C19 | |
| SCHEMBL3632871 | 0.67 | BCHE (0.34) | ALDH1A1 | |
| SCHEMBL7004471 | 0.67 | HTR2A (0.38) | ALDH1A1HTR6HSD17B10SMN1; SMN2CA12 | |
| SCHEMBL14524221 | 0.67 | KEAP1 (0.36) | HTTKEAP1ALDH1A1NQO2HTR6 | |
| SCHEMBL1306411 | 0.67 | GLS (0.53) | MEN1CYP1A2CYP2C19KMT2ACA9 | |
| SCHEMBL10412639 | 0.66 | CYP2A6 (0.37) | HTTTP53ALDH1A1MEN1CYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-101511840-A | Phosphoinositide 3-kinase inhibitor compounds and methods of use thereof | GENENTECH INC (US) | 2009-08-19 | — | — | CN | disclosed |