Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 8/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | PGR | P06401 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.40 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL11737018 | 0.86 | CYP1A2 (0.49) | ACHEPGRCYP1A2CYP3A4TSHR | |
| Hydrochloric Acid SCHEMBL11733075 | 0.85 | CYP1A2 (0.48) | ACHEPGRCYP1A2CYP3A4TSHR | |
| SCHEMBL11737613 | 0.84 | ACHE (0.52) | ACHECYP1A2CYP3A4TSHRADRA2B | |
| SCHEMBL11735423 | 0.84 | SIRT1 (0.48) | ACHEPGRCYP1A2CYP3A4TSHR | |
| SCHEMBL11739086 | 0.83 | ACHE (0.52) | ACHETDP1L3MBTL1 | |
| SCHEMBL11735332 | 0.81 | TOP2A (0.51) | ACHEPGRCYP1A2CYP3A4TSHR | |
| SCHEMBL11735778 | 0.81 | ACHE (0.51) | ACHECYP1A2CYP3A4TSHRADRA2B | |
| SCHEMBL11735581 | 0.79 | MAOB (0.51) | ACHETDP1L3MBTL1PGRCYP1A2 | |
| SCHEMBL11734092 | 0.79 | PGR (0.51) | ACHETDP1PGRCYP1A2CYP3A4 | |
| SCHEMBL11734722 | 0.78 | PGR (0.49) | TDP1PGRCYP1A2CYP3A4TSHR |
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 |