Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.36 |
| ▸ | GSR | P00390 | 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 | |
|---|---|---|---|---|
| SCHEMBL18292730 | 0.86 | S1PR1 (0.30) | S1PR1 | |
| SCHEMBL15014089 | 0.80 | S1PR1 (0.44) | S1PR1 | |
| SCHEMBL32670482 | 0.78 | TSHR (0.38) | S1PR1 | |
| SCHEMBL10552597 | 0.77 | ACHE (0.42) | ACHES1PR1 | |
| SCHEMBL26654228 | 0.72 | ACHE (0.42) | ACHE | |
| SCHEMBL20746917 | 0.70 | PTGS1 (0.41) | — | |
| SCHEMBL2610737 | 0.70 | SIGMAR1 (0.44) | ACHE | |
| SCHEMBL18632954 | 0.69 | — | — | |
| SCHEMBL63159 | 0.69 | ACHE (0.62) | ACHE | |
| SCHEMBL12161080 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2393362-B1 | NOVEL BENZODIAZEPINE DERIVATIVES | IMMUNOGEN INC (US) | 2016-08-24 | — | — | EP | disclosed |