Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 1/20 | 0.40 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.38 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.38 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.38 |
| ▸ | CNR1 | P21554 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 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 | |
|---|---|---|---|---|
| SCHEMBL6274432 | 1.00 | AKR1C3 (0.40) | AKR1C3ADRB1ADRB3LRRK2KMT2A | |
| SCHEMBL6267524 | 0.94 | AKR1C3 (0.40) | AKR1C3LRRK2KMT2ANLRP3 | |
| SCHEMBL6273369 | 0.94 | LRRK2 (0.39) | AKR1C3ADRB1ADRB3LRRK2KMT2A | |
| SCHEMBL6273370 | 0.94 | LRRK2 (0.39) | AKR1C3ADRB1ADRB3LRRK2KMT2A | |
| SCHEMBL6267521 | 0.94 | AKR1C3 (0.40) | AKR1C3LRRK2KMT2ANLRP3 | |
| SCHEMBL6272451 | 0.90 | KCNH2 (0.40) | ADRB1ADRB3LRRK2KCNH2 | |
| SCHEMBL6272446 | 0.90 | KCNH2 (0.40) | ADRB1ADRB3LRRK2KCNH2 | |
| SCHEMBL6269802 | 0.89 | LRRK2 (0.48) | AKR1C3LRRK2KMT2A | |
| SCHEMBL6269800 | 0.89 | LRRK2 (0.48) | AKR1C3LRRK2KMT2A | |
| SCHEMBL6267977 | 0.89 | PTPN2 (0.40) | ADRB1ADRB3KMT2AKCNH2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2005110981-A1 | AMINOALCOHOL DERIVATIVES | ASTELLAS PHARMA INC. (JP) | 2005-11-24 | — | — | WO | disclosed |