Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL22453301 | 0.88 | TSHR (0.36) | TSHRNFKB1CYP2C19 | |
| SCHEMBL13532919 | 0.83 | KMT2A (0.35) | TSHRNFKB1CYP2C19 | |
| SCHEMBL23194390 | 0.79 | TSHR (0.32) | TSHRNFKB1CYP2C19 | |
| SCHEMBL18069345 | 0.78 | — | — | |
| SCHEMBL16316616 | 0.77 | SMN1; SMN2 (0.32) | — | |
| SCHEMBL4329317 | 0.67 | — | — | |
| SCHEMBL19083694 | 0.67 | ATM (0.36) | — | |
| SCHEMBL14134379 | 0.65 | SPHK1 (0.31) | — | |
| SCHEMBL14904808 | 0.65 | SPHK1 (0.31) | — | |
| SCHEMBL16558979 | 0.65 | SPHK1 (0.31) | — |
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-2021067405-A1 | NEUROPROTECTIVE COMPOUNDS AND METHODS OF USE THEREOF | THE JOHNS HOPKINS UNIVERSITY (US) | 2021-04-08 | — | — | WO | disclosed |