Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 2/20 | 0.46 |
| ▸ | MPO | P05164 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.42 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.42 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.42 |
| ▸ | APP | P05067 | 1/20 | 0.41 |
| ▸ | BACE1 | P56817 | 1/20 | 0.41 |
| ▸ | IDO1 | P14902 | 2/20 | 0.40 |
| ▸ | NOS3 | P29474 | 1/20 | 0.40 |
| ▸ | NOS1 | P29475 | 1/20 | 0.40 |
| ▸ | NOS2 | P35228 | 1/20 | 0.40 |
| ▸ | PTGER1 | P34995 | 2/20 | 0.40 |
| ▸ | KCNH3 | Q9ULD8 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL28043564 | 0.81 | MPO (0.48) | MPOAPPBACE1NOS3NOS1 | |
| SCHEMBL4721 | 0.79 | ADORA2A (0.41) | ADORA2AMPOALDH1A1L3MBTL1NPC1 | |
| SCHEMBL9391654 | 0.79 | LTA4H (0.44) | MPOALDH1A1TAAR1TLR8TLR7 | |
| SCHEMBL10573978 | 0.78 | MPO (0.51) | ADORA2AMPOALDH1A1L3MBTL1NPC1 | |
| SCHEMBL29758354 | 0.73 | BACE1 (0.50) | ADORA2AALDH1A1L3MBTL1TLR8APP | |
| SCHEMBL1402167 | 0.73 | BACE1 (0.50) | ADORA2AALDH1A1L3MBTL1TLR8APP | |
| SCHEMBL9395340 | 0.73 | KCNH3 (0.47) | ADORA2AMPOL3MBTL1RAB9ATAAR1 | |
| SCHEMBL28824419 | 0.72 | ADORA2A (0.47) | ADORA2AMPOAPPBACE1NOS3 | |
| SCHEMBL9953712 | 0.72 | L3MBTL1 (0.50) | ALDH1A1L3MBTL1NPC1HTTRAB9A | |
| SCHEMBL3301625 | 0.71 | TAAR1 (0.59) | MPOALDH1A1L3MBTL1TAAR1IDO1 |
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-105324380-A | Pyrrolo[2,3-b]pyridine cdk9 kinase inhibitors | ABBVIE INC | 2016-02-10 | — | — | CN | disclosed |