Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.31 |
| ▸ | TSHR | P16473 | 2/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL27497190 | 0.80 | — | — | |
| SCHEMBL12960396 | 0.76 | CYP1A2 (0.37) | CYP1A2CYP17A1CYP3A4CYP2C9TSHR | |
| SCHEMBL23398615 | 0.76 | ALDH1A1 (0.36) | CYP1A2CYP2C9TSHRALDH1A1SMN1; SMN2 | |
| SCHEMBL23402958 | 0.74 | CYP1A2 (0.38) | CYP1A2CYP17A1CYP3A4CYP2C9TSHR | |
| SCHEMBL21720617 | 0.73 | CYP1A2 (0.35) | CYP1A2CYP17A1CYP3A4CYP2C9TSHR | |
| SCHEMBL21718834 | 0.73 | CYP1A2 (0.35) | CYP1A2CYP17A1CYP3A4CYP2C9TSHR | |
| SCHEMBL24275822 | 0.73 | CYP1A2 (0.35) | CYP1A2CYP17A1CYP3A4CYP2C9TSHR | |
| SCHEMBL17045700 | 0.73 | TSHR (0.39) | CYP1A2CYP17A1CYP3A4CYP2C9TSHR | |
| SCHEMBL21718648 | 0.73 | CYP1A2 (0.35) | CYP1A2CYP17A1CYP3A4CYP2C9TSHR | |
| SCHEMBL23399663 | 0.73 | CYP17A1 (0.32) | CYP1A2CYP17A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3828159-A1 | STORAGE AND TRANSPORT STABILIZERS FOR POLYMERIZABLE COMPOUNDS | BASF SE (DE) | 2021-06-02 | — | — | EP | disclosed |