Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNA5 | P22460 | 1/20 | 0.56 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.56 |
| ▸ | PRKCZ | Q05513 | 1/20 | 0.51 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.47 |
| ▸ | WDR77 | Q9BQA1 | 1/20 | 0.47 |
| ▸ | DPP4 | P27487 | 2/20 | 0.46 |
| ▸ | CYP11B2 | P19099 | 11/20 | 0.45 |
| ▸ | CYP11B1 | P15538 | 10/20 | 0.45 |
| ▸ | CYP17A1 | P05093 | 3/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | CYP2B6 | P20813 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | HTR1A | P08908 | 1/20 | 0.39 |
| ▸ | HTR7 | P34969 | 1/20 | 0.39 |
| ▸ | EGFR | P00533 | 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 | |
|---|---|---|---|---|
| SCHEMBL20873066 | 0.81 | PRKCZ (0.64) | KCNA5KCNH2PRKCZCYP11B2CYP11B1 | |
| SCHEMBL4045763 | 0.80 | CYP11B1 (0.47) | KCNA5KCNH2PRKCZPRMT5WDR77 | |
| SCHEMBL27896460 | 0.80 | DPP4 (0.53) | DPP4CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL6711350 | 0.79 | KCNA5 (0.42) | KCNA5KCNH2PRKCZPRMT5WDR77 | |
| Phosphine SCHEMBL28240902 | 0.78 | DPP4 (0.52) | DPP4CYP3A4CYP2D6CYP2C9CYP2C19 | |
| Hydrochloric Acid SCHEMBL3483375 | 0.78 | CYP11B1 (0.46) | KCNA5KCNH2PRKCZPRMT5WDR77 | |
| SCHEMBL11546007 | 0.78 | KCNA5 (0.51) | KCNA5KCNH2PRKCZCYP11B2CYP11B1 | |
| SCHEMBL3787333 | 0.74 | DPP4 (0.73) | DPP4 | |
| SCHEMBL27928310 | 0.74 | CA2 (0.51) | PRKCZPRMT5WDR77CYP17A1 | |
| SCHEMBL27966678 | 0.73 | KDM4E (0.44) | DPP4CYP3A4CYP2D6CYP1A2EGFR |
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-4518779-A | 1,2,3,4-Tetrahydro-1-aminomethyl-4-phenyl isoquinolines | PENNWALT CORPORATION (US) | 1985-05-21 | — | — | US | disclosed |
| EP-0104604-A1 | 1,2,3,4-Tetrahydro-1-aminomethyl-4-phenyl isoquinolines and methods of preparation | PENNWALT CORPORATION (US) | 1984-04-04 | — | — | EP | disclosed |