Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | PRMT1 | Q99873 | 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 | |
|---|---|---|---|---|
| SCHEMBL7206071 | 0.79 | ALDH1A1 (0.40) | ALDH1A1 | |
| SCHEMBL4631666 | 0.78 | CYP1A2 (0.43) | ALDH1A1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL14732602 | 0.76 | ALDH1A1 (0.38) | ALDH1A1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL9602136 | 0.75 | RIPK1 (0.43) | ALDH1A1CYP3A4 | |
| SCHEMBL14732601 | 0.73 | CYP1A2 (0.36) | ALDH1A1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL9067798 | 0.73 | ALDH1A1 (0.35) | ALDH1A1CYP1A2CYP2D6 | |
| SCHEMBL9068187 | 0.73 | ALDH1A1 (0.35) | ALDH1A1CYP1A2CYP2D6 | |
| SCHEMBL10047184 | 0.72 | TAAR1 (0.43) | ALDH1A1CYP1A2CYP3A4CYP2D6 | |
| Tert-Butylamine SCHEMBL11031124 | 0.72 | GABRA1 (0.39) | ALDH1A1 | |
| SCHEMBL19539346 | 0.72 | ALDH1A1 (0.41) | ALDH1A1CYP1A2CYP3A4CYP2D6 |
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-6197905-B1 | VINYL ETHER CHAIN TRANSFER AGENT TERMINATES THE GROWTH OF THE POLYMER CHAIN BY ADDITION TO THE PROPAGATING POLYMER RADICAL FOLLOWED BY EXPULSION OF A RADICAL WHICH THEN INITIATES ANOTHER POLYMER CHAIN | COMMONWEALTH SCIENTIFIC & INDUSTRIAL RESARCH ORGANIZATION (AU) | 2001-03-06 | — | — | US | disclosed |