Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PGR | P06401 | 1/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.45 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.45 |
| ▸ | HEXA | P06865 | 2/20 | 0.44 |
| ▸ | HEXB | P07686 | 2/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL11739086 | 0.85 | ACHE (0.52) | TDP1 | |
| SCHEMBL11737018 | 0.84 | CYP1A2 (0.49) | PGRCYP1A2CYP3A4TSHRADRA2B | |
| Hydrochloric Acid SCHEMBL11733075 | 0.82 | CYP1A2 (0.48) | PGRCYP1A2CYP3A4TSHRADRA2B | |
| SCHEMBL11737613 | 0.81 | ACHE (0.52) | CYP1A2CYP3A4TSHRADRA2BADRA1A | |
| SCHEMBL11735423 | 0.81 | SIRT1 (0.48) | PGRCYP1A2CYP3A4TSHRADRA2B | |
| SCHEMBL11745023 | 0.80 | TDP1 (0.57) | TDP1ALDH1A1CYP1A2CYP3A4HEXA | |
| SCHEMBL11735674 | 0.80 | TDP1 (0.62) | PGRTDP1ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL11741752 | 0.79 | ALDH1A1 (0.56) | ALDH1A1CYP1A2CYP3A4TSHRADRA2B | |
| Hydrochloric Acid SCHEMBL11748736 | 0.78 | ALDH1A1 (0.55) | ALDH1A1CYP1A2CYP3A4TSHRADRA2B | |
| SCHEMBL11735366 | 0.78 | ACHE (0.46) | PGRTDP1ALDH1A1CYP1A2CYP3A4 |
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-4031219-A | ANTIARRHYTHYMICS | BOEHRINGER INGELHEIM GMBH (DT) | 1977-06-21 | — | — | US | disclosed |