Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL12619364 | 0.81 | CHUK (0.44) | TSHR | |
| SCHEMBL13315654 | 0.81 | CHUK (0.44) | TSHR | |
| SCHEMBL12653322 | 0.73 | CHUK (0.38) | ALDH1A1LMNATSHR | |
| SCHEMBL12619290 | 0.66 | CHUK (0.55) | — | |
| SCHEMBL12653179 | 0.65 | CHUK (0.37) | TSHR | |
| SCHEMBL12653360 | 0.64 | CHUK (0.51) | — | |
| SCHEMBL1800650 | 0.54 | ICOSLG (0.63) | — | |
| SCHEMBL8234859 | 0.51 | LMNA (0.59) | ALDH1A1LMNATSHR | |
| SCHEMBL14253066 | 0.51 | CHUK (0.73) | — | |
| SCHEMBL25121397 | 0.50 | ALDH1A1 (0.54) | ALDH1A1LMNATSHR |
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 |
|---|---|---|---|---|---|---|---|
| US-7727985-B2 | Beta-carbolines useful for treating inflammatory disease | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2010-06-01 | — | — | US | disclosed |