Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | ESR1 | P03372 | 4/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | GAA | P10253 | 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 | |
|---|---|---|---|---|
| SCHEMBL1666 | 0.88 | TDP1 (0.53) | CYP3A4TDP1ESR1ESR2KDM4E | |
| Ammonia Solution, Strong SCHEMBL27727604 | 0.85 | TDP1 (0.50) | CYP3A4TDP1ESR1ESR2KDM4E | |
| SCHEMBL27490320 | 0.85 | TDP1 (0.50) | CYP3A4TDP1ESR1ESR2KDM4E | |
| Hydrochloric Acid SCHEMBL27938194 | 0.85 | TDP1 (0.50) | CYP3A4TDP1ESR1ESR2KDM4E | |
| SCHEMBL28556505 | 0.85 | TDP1 (0.50) | CYP3A4TDP1ESR1ESR2KDM4E | |
| SCHEMBL28831553 | 0.85 | TDP1 (0.50) | CYP3A4TDP1ESR1ESR2KDM4E | |
| Methyl Alcohol SCHEMBL28358131 | 0.80 | TDP1 (0.45) | CYP3A4TDP1ESR1ESR2KDM4E | |
| SCHEMBL28815604 | 0.80 | CYP3A4 (0.71) | CYP3A4TDP1ESR1ESR2KDM4E | |
| SCHEMBL28350138 | 0.78 | CYP3A4 (0.43) | CYP3A4TDP1ESR1ESR2KDM4E | |
| SCHEMBL28193704 | 0.78 | CYP3A4 (0.43) | CYP3A4TDP1ESR1ESR2KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| CN-104520279-B | 1,3-benzothiazole-2 (3H)-one and as medicine and the application of cosmetics | Dr August Wolff GmbH & Co.KG Arzneimittel (DE) | 2016-11-30 | — | — | CN | disclosed |