Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FAAH | O00519 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 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 | |
|---|---|---|---|---|
| SCHEMBL1509700 | 0.85 | CA1 (0.35) | TSHRCA1 | |
| SCHEMBL8109796 | 0.81 | TDP1 (0.43) | TSHRALDH1A1CA1 | |
| SCHEMBL11457699 | 0.79 | CA2 (0.41) | FAAHTSHRALDH1A1 | |
| SCHEMBL11069921 | 0.79 | TSHR (0.40) | TSHRALDH1A1 | |
| SCHEMBL10467346 | 0.78 | — | — | |
| SCHEMBL666348 | 0.78 | — | — | |
| SCHEMBL11460256 | 0.76 | — | — | |
| SCHEMBL26103453 | 0.76 | ALDH1A1 (0.44) | TSHRALDH1A1TP53CA1 | |
| SCHEMBL7543820 | 0.73 | — | — | |
| SCHEMBL1199397 | 0.73 | — | — |
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-4240983-A | HALOGENATION | BAYER AKTIENGESELLSCHAFT (DE) | 1980-12-23 | — | — | US | disclosed |