Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 1/20 | 0.39 |
| ▸ | MAP2 | P11137 | 2/20 | 0.36 |
| ▸ | SLC9A1 | P19634 | 2/20 | 0.35 |
| ▸ | HPGDS | O60760 | 1/20 | 0.35 |
| ▸ | IKBKB | O14920 | 2/20 | 0.35 |
| ▸ | PARP1 | P09874 | 1/20 | 0.34 |
| ▸ | CCNC | P24863 | 4/20 | 0.34 |
| ▸ | CDK8 | P49336 | 4/20 | 0.34 |
| ▸ | CDC7 | O00311 | 3/20 | 0.33 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.33 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.33 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.33 |
| ▸ | CHUK | O15111 | 1/20 | 0.33 |
| ▸ | CES2 | O00748 | 1/20 | 0.32 |
| ▸ | CES1 | P23141 | 1/20 | 0.32 |
| ▸ | PRKCI | P41743 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL28202946 | 0.85 | HPGDS (0.48) | MAP2SLC9A1HPGDSPARP1CCNC | |
| SCHEMBL27944229 | 0.79 | MAP2 (0.41) | MAP2SLC9A1IKBKBCCNCCDK8 | |
| SCHEMBL17604415 | 0.77 | BCAT2 (0.50) | BRD4MAP2IKBKBPARP1CCNC | |
| SCHEMBL1925897 | 0.75 | CCNC (0.39) | IKBKBPARP1CCNCCDK8CHUK | |
| SCHEMBL30471167 | 0.71 | — | — | |
| SCHEMBL1925356 | 0.69 | TSHR (0.50) | PARP1CDC7CES1 | |
| SCHEMBL3236362 | 0.68 | BCAT2 (0.63) | SLC9A1IKBKBPARP1CDC7 | |
| SCHEMBL17925960 | 0.68 | BCL2L1 (0.47) | — | |
| SCHEMBL562266 | 0.65 | — | — | |
| SCHEMBL6672416 | 0.65 | — | — |
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-103649089-A | Pyrrolotriazinones as PI3K inhibitors | ALMIRALL SA | 2014-03-19 | — | — | CN | disclosed |