Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK1 | Q15118 | 4/20 | 0.57 |
| ▸ | PDK2 | Q15119 | 4/20 | 0.57 |
| ▸ | PDK3 | Q15120 | 4/20 | 0.57 |
| ▸ | PDK4 | Q16654 | 4/20 | 0.57 |
| ▸ | MAPT | P10636 | 4/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.53 |
| ▸ | MEN1 | O00255 | 2/20 | 0.51 |
| ▸ | NPC1 | O15118 | 2/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.51 |
| ▸ | RAB9A | P51151 | 2/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.51 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.50 |
| ▸ | AURKA | O14965 | 1/20 | 0.50 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.50 |
| ▸ | JAK2 | O60674 | 1/20 | 0.50 |
| ▸ | GMNN | O75496 | 1/20 | 0.50 |
| ▸ | EGFR | P00533 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL4610006 | 0.83 | PDK1 (0.81) | PDK1PDK2PDK3PDK4 | |
| SCHEMBL6569621 | 0.83 | PDK1 (0.81) | PDK1PDK2PDK3PDK4 | |
| SCHEMBL8407256 | 0.82 | PDK1 (0.51) | PDK1PDK2PDK3PDK4MAPT | |
| SCHEMBL8407302 | 0.81 | MAPT (0.51) | PDK1PDK2PDK3PDK4MAPT | |
| SCHEMBL2072672 | 0.80 | MAPT (0.60) | PDK1PDK2PDK3PDK4MAPT | |
| SCHEMBL7301679 | 0.80 | HTT (0.71) | MAPTALDH1A1MEN1NPC1MAPK1 | |
| SCHEMBL8407500 | 0.79 | MAPT (0.50) | PDK1PDK2PDK3PDK4MAPT | |
| SCHEMBL8930598 | 0.78 | MAPT (0.63) | MAPTALDH1A1MEN1NPC1MAPK1 | |
| SCHEMBL10420192 | 0.77 | PDK1 (0.61) | PDK1PDK2PDK3PDK4MAPT | |
| SCHEMBL30492664 | 0.76 | MAPT (0.65) | MAPTALDH1A1MEN1NPC1MAPK1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5994362-A | ADMINISTERING FINASTERIDE AND CASODEX | MERCK & CO., INC. (US) | 1999-11-30 | — | — | US | disclosed |
| EP-0514056-A2 | Use of estrogens or antiandrogens for reversal of male sexual phenotype in poultry | MERCK & CO. INC. (US) | 1992-11-19 | — | — | EP | disclosed |
| WO-1992016233-A1 | PHARMACEUTICAL COMBINATION FOR THE TREATMENT OF PROSTATIC CANCER CONTAINING A 5 ALPHA REDUCTASE INHIBITOR AND AN ANTIANDROGEN | MERCK & CO., INC. (US) | 1992-10-01 | — | — | WO | disclosed |
| EP-0040932-B1 | AMIDE DERIVATIVES, PROCESS FOR THEIR MANUFACTURE AND PHARMACEUTICAL OR VETERINARY COMPOSITIONS CONTAINING THEM | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1985-07-03 | — | — | EP | disclosed |
| US-4386080-A | 3,4-DISUBSTITUTED-N-ACYLANILINES | IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) | 1983-05-31 | — | — | US | disclosed |
| EP-0040932-A1 | Amide derivatives, process for their manufacture and pharmaceutical or veterinary compositions containing them | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1981-12-02 | — | — | EP | disclosed |