Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HEXA | P06865 | 2/20 | 0.51 |
| ▸ | HEXB | P07686 | 2/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.49 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.49 |
| ▸ | PGR | P06401 | 10/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL11735332 | 0.88 | TOP2A (0.51) | CYP1A2CYP3A4TSHRADRA2BADRA1A | |
| SCHEMBL11543819 | 0.86 | CYP1A2 (0.49) | CYP1A2CYP3A4TSHRADRA2BADRA1A | |
| SCHEMBL11737347 | 0.84 | CYP1A2 (0.53) | CYP1A2CYP3A4TSHRADRA2BADRA1A | |
| SCHEMBL11737613 | 0.83 | ACHE (0.52) | CYP1A2CYP3A4TSHRADRA2BADRA1A | |
| SCHEMBL11737018 | 0.83 | CYP1A2 (0.49) | CYP1A2CYP3A4TSHRADRA2BADRA1A | |
| SCHEMBL11741201 | 0.82 | MAOB (0.47) | CYP1A2CYP3A4TSHRADRA2BADRA1A | |
| SCHEMBL11735778 | 0.82 | ACHE (0.51) | CYP1A2CYP3A4TSHRADRA2BADRA1A | |
| SCHEMBL11734596 | 0.82 | MAOB (0.53) | CYP1A2CYP3A4TSHRADRA2BADRA1A | |
| SCHEMBL11639312 | 0.82 | KMT2A (0.57) | CYP1A2CYP3A4TSHRADRA2BADRA1A | |
| SCHEMBL11637707 | 0.82 | CYP1A2 (0.48) | CYP1A2CYP3A4TSHRADRA2BADRA1A |
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 |