Predicted protein targets (top 2)
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 | |
|---|---|---|---|---|
| SCHEMBL1572639 | 0.81 | CYP1A2 (0.37) | TDP1 | |
| SCHEMBL15040910 | 0.81 | CYP1A2 (0.37) | TDP1 | |
| SCHEMBL19545997 | 0.81 | ALDH1A1 (0.32) | TDP1 | |
| SCHEMBL23461210 | 0.79 | TSHR (0.31) | TSHR | |
| SCHEMBL19832370 | 0.79 | CA1 (0.37) | — | |
| SCHEMBL22642161 | 0.75 | HDAC8 (0.41) | TSHR | |
| SCHEMBL27300790 | 0.75 | CA1 (0.41) | TSHRTDP1 | |
| SCHEMBL21301525 | 0.75 | MMP3 (0.33) | — | |
| SCHEMBL5075325 | 0.75 | MMP8 (0.32) | TSHR | |
| Butane SCHEMBL27823163 | 0.75 | TSHR (0.33) | TSHRTDP1 |
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-4164511-A | Manufacture of N-arylglycinonitriles | BASF AKTIENGESELLSCHAFT (DE) | 1979-08-14 | — | — | US | disclosed |