Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 6/20 | 0.47 |
| ▸ | CYP11B1 | P15538 | 6/20 | 0.47 |
| ▸ | CYP11B2 | P19099 | 6/20 | 0.47 |
| ▸ | LOXL2 | Q9Y4K0 | 2/20 | 0.45 |
| ▸ | CYP19A1 | P11511 | 4/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.45 |
| ▸ | NOS3 | P29474 | 2/20 | 0.41 |
| ▸ | NOS2 | P35228 | 2/20 | 0.41 |
| ▸ | NOS1 | P29475 | 1/20 | 0.41 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | BACE1 | P56817 | 3/20 | 0.40 |
| ▸ | APP | P05067 | 1/20 | 0.40 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.40 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL29758354 | 0.84 | BACE1 (0.50) | LOXL2NOS3NOS2NOS1ADORA2A | |
| SCHEMBL1402167 | 0.84 | BACE1 (0.50) | LOXL2NOS3NOS2NOS1ADORA2A | |
| SCHEMBL28043557 | 0.80 | CHRNA7 (0.46) | ADORA2A | |
| SCHEMBL28043569 | 0.79 | HSP90AB1 (0.54) | L3MBTL1BACE1APP | |
| SCHEMBL9395340 | 0.79 | KCNH3 (0.47) | LOXL2NOS3NOS2NOS1ADORA2A | |
| SCHEMBL7796022 | 0.79 | ESR1 (0.46) | NOS3NOS2L3MBTL1BACE1APP | |
| SCHEMBL7969647 | 0.77 | PDE4B (0.46) | CYP17A1CYP11B1CYP11B2LOXL2CYP19A1 | |
| SCHEMBL19880302 | 0.77 | GRM5 (0.43) | CYP17A1CYP11B1CYP11B2LOXL2CYP19A1 | |
| SCHEMBL7798261 | 0.75 | ALDH1A1 (0.53) | BACE1APPRAB9A | |
| SCHEMBL30376292 | 0.75 | TLR8 (0.43) | NOS3NOS2NOS1BACE1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-105324380-A | Pyrrolo[2,3-b]pyridine cdk9 kinase inhibitors | ABBVIE INC | 2016-02-10 | — | — | CN | disclosed |
| CN-105246890-A | Pyrrolo[2, 3-b]pyridine cdk9 kinase inhibitors | ABBVIE INC | 2016-01-13 | — | — | CN | disclosed |