Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
| ▸ | TSHR | P16473 | 1/20 | 0.53 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.53 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.53 |
| ▸ | PGR | P06401 | 10/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | ELANE | P08246 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL11543819 | 0.96 | CYP1A2 (0.49) | CYP1A2CYP3A4TSHRADRA2BADRA1A | |
| SCHEMBL11741136 | 0.91 | PGR (0.53) | CYP1A2CYP3A4TSHRADRA2BADRA1A | |
| SCHEMBL11543073 | 0.84 | PGR (0.55) | CYP1A2CYP3A4TSHRADRA2BADRA1A | |
| SCHEMBL11737018 | 0.84 | CYP1A2 (0.49) | CYP1A2CYP3A4TSHRADRA2BADRA1A | |
| SCHEMBL11733243 | 0.84 | HEXA (0.51) | CYP1A2CYP3A4TSHRADRA2BADRA1A | |
| SCHEMBL11734596 | 0.83 | MAOB (0.53) | CYP1A2CYP3A4TSHRADRA2BADRA1A | |
| SCHEMBL11639312 | 0.83 | KMT2A (0.57) | CYP1A2CYP3A4TSHRADRA2BADRA1A | |
| Hydrochloric Acid SCHEMBL11733075 | 0.83 | CYP1A2 (0.48) | CYP1A2CYP3A4TSHRADRA2BADRA1A | |
| SCHEMBL11637707 | 0.83 | CYP1A2 (0.48) | CYP1A2CYP3A4TSHRADRA2BADRA1A | |
| SCHEMBL319784 | 0.82 | KMT2A (0.51) | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4021558-A | 1,3-Dioxo-2-[(methoxyphenethyl-amino)-alkyl]-4,4-dimethyl-isoquinolines and salts thereof useful as hypotensive agents | BOEHRINGER INGELHEIM GMBH (DT) | 1977-05-03 | — | — | US | disclosed |
| US-3948898-A | HYPOTENSIVES, SEDATIVES, ANTIARRHYTHMICS, BRADYCARDIACS | BOEHRINGER INGELHEIM GMBH (DT) | 1976-04-06 | — | — | US | disclosed |