Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | TSHR | P16473 | 2/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL29016339 | 0.80 | ALDH1A1 (0.42) | ALDH1A1CYP3A4TSHRTDP1TP53 | |
| SCHEMBL339301 | 0.79 | RAPGEF4 (0.45) | ALDH1A1TSHRTDP1TP53CA1 | |
| SCHEMBL28885930 | 0.76 | RAPGEF4 (0.43) | ALDH1A1TSHRTDP1TP53CA1 | |
| Bromide SCHEMBL28225185 | 0.76 | RAPGEF4 (0.43) | ALDH1A1TSHRTDP1TP53CA1 | |
| Fluoride SCHEMBL27746806 | 0.76 | RAPGEF4 (0.43) | ALDH1A1TSHRTDP1TP53CA1 | |
| SCHEMBL23581648 | 0.76 | RAPGEF4 (0.43) | ALDH1A1TSHRTDP1TP53CA1 | |
| Hydrochloric Acid SCHEMBL28495688 | 0.76 | RAPGEF4 (0.43) | ALDH1A1TSHRTDP1TP53CA1 | |
| SCHEMBL21360879 | 0.74 | CYP3A4 (0.35) | CYP3A4TSHR | |
| SCHEMBL10290767 | 0.73 | ALDH1A1 (0.47) | ALDH1A1CYP3A4TSHRTDP1TP53 | |
| SCHEMBL23961452 | 0.73 | NQO2 (0.35) | ALDH1A1CYP3A4TSHRTDP1 |
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-20120129076-A1 | Novel Sulfonic Acid Group-Containing Segmented Block Copolymer and Use Thereof | TOYO BOSEKI KABUSHIKI KAISHA (JP) | 2012-05-24 | — | — | US | disclosed |