Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL1163590 | 0.87 | AKR1B1 (0.36) | ALDH1A1TSHR | |
| SCHEMBL3313915 | 0.86 | TSHR (0.30) | TSHR | |
| SCHEMBL8755749 | 0.76 | TSHR (0.34) | TSHR | |
| SCHEMBL8755744 | 0.76 | TSHR (0.34) | TSHR | |
| Bicarbonate SCHEMBL4608519 | 0.72 | CHRM1 (0.37) | TSHR | |
| SCHEMBL1164655 | 0.71 | TSHR (0.31) | TSHR | |
| SCHEMBL111610 | 0.70 | TET2 (0.37) | TSHR | |
| SCHEMBL29446746 | 0.69 | TSHR (0.31) | TSHR | |
| SCHEMBL15741473 | 0.67 | CA1 (0.42) | — | |
| SCHEMBL10508302 | 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 |
|---|---|---|---|---|---|---|---|
| US-4055714-A | POLYMERIZATION CATALYSTS | PENNWALT CORPORATION (US) | 1977-10-25 | — | — | US | disclosed |