Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MPO | P05164 | 5/20 | 0.48 |
| ▸ | NOS1 | P29475 | 2/20 | 0.40 |
| ▸ | NOS2 | P35228 | 2/20 | 0.40 |
| ▸ | NOS3 | P29474 | 1/20 | 0.40 |
| ▸ | KCNH3 | Q9ULD8 | 1/20 | 0.40 |
| ▸ | PTGER1 | P34995 | 6/20 | 0.39 |
| ▸ | BACE1 | P56817 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.36 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.36 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.36 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.36 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.36 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.36 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.36 |
| ▸ | APP | P05067 | 1/20 | 0.36 |
| ▸ | DPP4 | P27487 | 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 | |
|---|---|---|---|---|
| SCHEMBL28046252 | 0.81 | ADORA2A (0.46) | MPONOS1NOS2NOS3KCNH3 | |
| SCHEMBL28816893 | 0.77 | NPC1 (0.50) | MPONOS1NOS3APP | |
| SCHEMBL9395340 | 0.76 | KCNH3 (0.47) | MPONOS1NOS2NOS3KCNH3 | |
| SCHEMBL28824419 | 0.75 | ADORA2A (0.47) | MPONOS1NOS2NOS3KCNH3 | |
| SCHEMBL5252643 | 0.72 | MPO (0.49) | MPOPSEN1PSEN2APH1BNCSTN | |
| SCHEMBL28043569 | 0.69 | HSP90AB1 (0.54) | MPOPTGER1BACE1APP | |
| SCHEMBL9391654 | 0.68 | LTA4H (0.44) | MPONOS1NOS2NOS3BACE1 | |
| SCHEMBL27050674 | 0.68 | NOS1 (0.39) | MPONOS1NOS2NOS3KCNH3 | |
| SCHEMBL27050662 | 0.68 | NOS2 (0.39) | MPONOS1NOS2NOS3KCNH3 | |
| SCHEMBL3264814 | 0.67 | MPO (0.47) | MPOCYP3A4CYP2C9CYP2C19PSEN1 |
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 |