Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KEAP1 | Q14145 | 1/20 | 0.38 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | IL1B | P01584 | 3/20 | 0.36 |
| ▸ | P2RX7 | Q99572 | 3/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.35 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.35 |
| ▸ | BACE1 | P56817 | 1/20 | 0.35 |
| ▸ | NOD2 | Q9HC29 | 1/20 | 0.35 |
| ▸ | NOD1 | Q9Y239 | 1/20 | 0.35 |
| ▸ | TLR2 | O60603 | 1/20 | 0.34 |
| ▸ | TLR1 | Q15399 | 1/20 | 0.34 |
| ▸ | OPRM1 | P35372 | 3/20 | 0.33 |
| ▸ | OPRK1 | P41145 | 3/20 | 0.33 |
| ▸ | OGFRL1 | Q5TC84 | 3/20 | 0.33 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.33 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.33 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL17338154 | 0.94 | KEAP1 (0.40) | KEAP1NFE2L2KMT2AIL1BP2RX7 | |
| SCHEMBL17338158 | 0.93 | KEAP1 (0.38) | KEAP1NFE2L2KMT2AIL1BP2RX7 | |
| SCHEMBL17338180 | 0.93 | KEAP1 (0.43) | KEAP1NFE2L2KMT2AIL1BP2RX7 | |
| SCHEMBL17338204 | 0.89 | KEAP1 (0.45) | KEAP1NFE2L2KMT2AIL1BP2RX7 | |
| SCHEMBL17338177 | 0.86 | KEAP1 (0.40) | KEAP1NFE2L2KMT2ABACE1NOD2 | |
| SCHEMBL17330890 | 0.84 | PIK3CD (0.40) | BACE1 | |
| SCHEMBL17330892 | 0.84 | PIK3CD (0.40) | BACE1 | |
| SCHEMBL17338369 | 0.82 | KEAP1 (0.42) | KEAP1NFE2L2KMT2ABACE1NOD2 | |
| SCHEMBL17338320 | 0.80 | KEAP1 (0.33) | KEAP1NFE2L2KMT2ASCN9ABACE1 | |
| SCHEMBL17338273 | 0.80 | PDE10A (0.40) | IL1BP2RX7SCN9AOPRM1OPRK1 |
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-3154958-A1 | PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS | Gilead Sciences, Inc. (US) | 2017-04-19 | — | — | EP | disclosed |
| WO-2015191752-A1 | PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS | GILEAD SCIENCES, INC. (US) | 2015-12-17 | — | — | WO | disclosed |