Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNA7 | P36544 | 1/20 | 0.46 |
| ▸ | MPO | P05164 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.44 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.44 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.43 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | MMP2 | P08253 | 1/20 | 0.41 |
| ▸ | HRH1 | P35367 | 2/20 | 0.41 |
| ▸ | LTA4H | P09960 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL28043533 | 0.80 | CYP17A1 (0.47) | ADORA2A | |
| SCHEMBL29758354 | 0.80 | BACE1 (0.50) | ADORA2AALDH1A1 | |
| SCHEMBL1402167 | 0.80 | BACE1 (0.50) | ADORA2AALDH1A1 | |
| SCHEMBL7969373 | 0.79 | CYP1A2 (0.44) | CHRNA7CYP1A2CYP2D6HRH4HRH3 | |
| SCHEMBL19591018 | 0.79 | CYP2A6 (0.49) | CHRNA7CYP1A2CYP2D6HRH4HRH3 | |
| SCHEMBL28108406 | 0.76 | PDE10A (0.47) | CHRNA7MPOCYP1A2CYP2D6HRH4 | |
| SCHEMBL29520054 | 0.75 | CHRNA7 (0.44) | CHRNA7MPOCYP1A2CYP2D6HRH4 | |
| SCHEMBL727185 | 0.74 | CYP1A2 (0.62) | CHRNA7CYP1A2CYP2D6HRH4HRH3 | |
| SCHEMBL4938657 | 0.74 | BACE1 (0.62) | CYP1A2CYP2D6CYP2A6ADORA2AALDH1A1 | |
| SCHEMBL17674597 | 0.73 | GAA (0.41) | CHRNA7 |
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 |