Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRB | P10828 | 1/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | ACACB | O00763 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL21986159 | 0.85 | ALDH1A1 (0.32) | ALDH1A1 | |
| SCHEMBL10035850 | 0.84 | PKM (0.36) | THRBPKMACACBHTTALDH1A1 | |
| SCHEMBL15462687 | 0.84 | — | — | |
| SCHEMBL16592004 | 0.82 | ALDH1A1 (0.42) | THRBPKMACACBHTTALDH1A1 | |
| SCHEMBL19299882 | 0.81 | PKM (0.35) | THRBPKMACACBHTTALDH1A1 | |
| SCHEMBL13183254 | 0.80 | ALDH1A1 (0.35) | ALDH1A1 | |
| SCHEMBL26696658 | 0.79 | ALDH1A1 (0.40) | THRBPKMACACBHTTALDH1A1 | |
| SCHEMBL24821941 | 0.78 | — | — | |
| SCHEMBL21415343 | 0.78 | PKM (0.31) | PKM | |
| SCHEMBL13460305 | 0.78 | ALDH1A1 (0.32) | ALDH1A1 |
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-3666289-A1 | CYTOTOXIC BENZODIAZEPINE DERIVATIVES | ImmunoGen, Inc. (US) | 2020-06-17 | — | — | EP | disclosed |