Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.35 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.33 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | SLC5A2 | P31639 | 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 | |
|---|---|---|---|---|
| SCHEMBL7931311 | 0.78 | MAPK1 (0.49) | MAPK1TDP1CYP3A4TRPA1GABRA1 | |
| SCHEMBL281996 | 0.78 | MAPK1 (0.63) | MAPK1TDP1CYP3A4TRPA1GABRA1 | |
| SCHEMBL11552139 | 0.73 | MAPK1 (0.66) | MAPK1TDP1CYP3A4TRPA1GABRA1 | |
| SCHEMBL31182116 | 0.70 | MAPK1 (0.61) | MAPK1TDP1CYP3A4TRPA1GABRA1 | |
| SCHEMBL27318232 | 0.70 | MAPK1 (0.61) | MAPK1TDP1CYP3A4TRPA1GABRA1 | |
| SCHEMBL1122281 | 0.70 | MAPK1 (0.61) | MAPK1TDP1CYP3A4TRPA1GABRA1 | |
| SCHEMBL7247752 | 0.70 | MAPK1 (0.49) | MAPK1TDP1CYP3A4TRPA1GABRA1 | |
| SCHEMBL1428432 | 0.67 | TDP1 (0.56) | MAPK1TDP1CYP3A4TRPA1TSHR | |
| SCHEMBL7757448 | 0.67 | TDP1 (0.56) | MAPK1TDP1CYP3A4TRPA1GABRA1 | |
| SCHEMBL10644838 | 0.66 | CYP4F2 (0.59) | MAPK1TDP1CYP3A4TRPA1TSHR |
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-6602825-B1 | Cyclization of an isocyanate with a thiourea and carbonic acid | BASF AKTIENGESELLSCHAFT (DE) | 2003-08-05 | — | — | US | disclosed |