Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.35 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.35 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL28014788 | 1.00 | TDP1 (0.45) | TDP1TSHRHTTKDM4EALDH1A1 | |
| SCHEMBL28014790 | 0.97 | TDP1 (0.41) | TDP1TSHRHTTKDM4EALDH1A1 | |
| SCHEMBL28014786 | 0.97 | TDP1 (0.41) | TDP1TSHRHTTKDM4EALDH1A1 | |
| SCHEMBL27682585 | 0.79 | SYK (0.30) | — | |
| SCHEMBL27682586 | 0.79 | SYK (0.30) | — | |
| SCHEMBL27905600 | 0.77 | CA1 (0.39) | TSHR | |
| SCHEMBL27888905 | 0.77 | CA1 (0.39) | TSHR | |
| SCHEMBL27701850 | 0.76 | ATM (0.32) | — | |
| SCHEMBL28102273 | 0.75 | BTK (0.30) | — | |
| SCHEMBL28768883 | 0.75 | — | — |
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-102482203-B | Carbocyclic GLYT1 receptor antagonists | HOFFMANN LA ROCHE | 2015-06-03 | — | — | CN | disclosed |