Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 8/20 | 0.48 |
| ▸ | PDK2 | Q15119 | 3/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | TP53 | P04637 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | HTR2C | P28335 | 1/20 | 0.35 |
| ▸ | HTR2B | P41595 | 1/20 | 0.35 |
| ▸ | LTA4H | P09960 | 1/20 | 0.34 |
| ▸ | RET | P07949 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL11586888 | 0.93 | HTR2A (0.40) | HTR2APDK2CYP3A4TP53MAPT | |
| SCHEMBL11632245 | 0.85 | PDK2 (0.41) | HTR2APDK2CYP3A4TP53MAPT | |
| SCHEMBL11585361 | 0.83 | PDK2 (0.43) | PDK2CYP3A4MAPTALDH1A1 | |
| SCHEMBL11883275 | 0.82 | PDK2 (0.42) | PDK2CYP3A4TP53MAPTALDH1A1 | |
| SCHEMBL11585552 | 0.81 | PDK2 (0.51) | PDK2CYP3A4TP53MAPTLTA4H | |
| SCHEMBL11586583 | 0.81 | PDK2 (0.45) | PDK2CYP3A4TP53MAPTALDH1A1 | |
| SCHEMBL11585651 | 0.80 | HTR2A (0.66) | HTR2AHTR2CHTR2BRET | |
| SCHEMBL11585748 | 0.79 | HTR2A (0.54) | HTR2APDK2HTR2CRET | |
| SCHEMBL11587446 | 0.79 | PDK2 (0.40) | PDK2CYP3A4MAPTHTR2C | |
| SCHEMBL11587902 | 0.77 | PDK2 (0.37) | HTR2APDK2CYP3A4TP53MAPT |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4070387-A | ANTIARRHYTHMIC AGENTS | MERCK & CO., INC. (US) | 1978-01-24 | — | — | US | disclosed |
| US-4020096-A | ANTIARRYTHMIA | MERCK & CO., INC. (US) | 1977-04-26 | — | — | US | disclosed |
| US-3950423-A | 10,11-Dihydro-10,10,11,11-tetrafluoro-5H-dibenzo[a,d]cycloheptene-5-methylamines | MERCK & CO., INC. (US) | 1976-04-13 | — | — | US | disclosed |