Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | BLM | P54132 | 2/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.39 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.39 |
| ▸ | PGR | P06401 | 1/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.39 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.39 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.39 |
| ▸ | SLC47A1 | Q96FL8 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL21742051 | 0.85 | L3MBTL1 (0.44) | SMN1; SMN2L3MBTL1MAPK1NPC1TP53 | |
| SCHEMBL2465547 | 0.83 | SMN1; SMN2 (0.46) | SMN1; SMN2L3MBTL1MAPK1NPC1TP53 | |
| SCHEMBL476472 | 0.81 | SMN1; SMN2 (0.43) | SMN1; SMN2L3MBTL1MAPK1NPC1TP53 | |
| SCHEMBL29188178 | 0.79 | P2RX7 (0.36) | KMT2A | |
| SCHEMBL21742069 | 0.75 | SMN1; SMN2 (0.47) | SMN1; SMN2L3MBTL1NPC1RAB9ABLM | |
| SCHEMBL8283520 | 0.74 | MAPT (0.52) | SMN1; SMN2L3MBTL1MAPK1NPC1TP53 | |
| SCHEMBL21742399 | 0.73 | SMN1; SMN2 (0.42) | SMN1; SMN2L3MBTL1NPC1RAB9ABLM | |
| SCHEMBL28996600 | 0.73 | SMN1; SMN2 (0.48) | SMN1; SMN2L3MBTL1MAPK1NPC1TP53 | |
| SCHEMBL21742276 | 0.73 | SMN1; SMN2 (0.44) | SMN1; SMN2L3MBTL1BLMCYP2D6KCNH2 | |
| SCHEMBL27205053 | 0.72 | SMN1; SMN2 (0.44) | SMN1; SMN2L3MBTL1MAPK1NPC1TP53 |
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-115551862-B | Macrocyclic inhibitors of peptidyl arginine deiminase | 吉利德科学公司 | 2024-04-12 | — | — | CN | disclosed |
| CN-117355521-A | Heteroaryl inhibitors of plasma kallikrein | 武田药品工业株式会社 | 2024-01-05 | — | — | CN | disclosed |