Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | THRB | P10828 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL1832545 | 1.00 | ALDH1A1 (0.39) | ALDH1A1CYP19A1TSHRSMN1; SMN2THRB | |
| SCHEMBL74808 | 1.00 | ALDH1A1 (0.39) | ALDH1A1CYP19A1TSHRSMN1; SMN2THRB | |
| SCHEMBL685576 | 1.00 | ALDH1A1 (0.39) | ALDH1A1CYP19A1TSHRSMN1; SMN2THRB | |
| SCHEMBL685580 | 1.00 | ALDH1A1 (0.39) | ALDH1A1CYP19A1TSHRSMN1; SMN2THRB | |
| SCHEMBL6912158 | 1.00 | ALDH1A1 (0.39) | ALDH1A1CYP19A1TSHRSMN1; SMN2THRB | |
| SCHEMBL47313 | 0.98 | ALDH1A1 (0.41) | ALDH1A1CYP19A1TSHRTHRB | |
| Methacrylic Acid SCHEMBL20573813 | 0.94 | CYP19A1 (0.36) | ALDH1A1CYP19A1 | |
| SCHEMBL673273 | 0.94 | ALDH1A1 (0.41) | ALDH1A1CYP19A1TSHRTHRB | |
| SCHEMBL11206600 | 0.93 | ALDH1A1 (0.54) | ALDH1A1CYP19A1TSHRSMN1; SMN2MEN1 | |
| Acrylic Acid SCHEMBL27616773 | 0.89 | CYP19A1 (0.34) | ALDH1A1CYP19A1 |
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-106604912-A | Oxime sulfonate derivatives | 巴斯夫欧洲公司 | 2017-04-26 | — | — | CN | disclosed |