Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK1 | Q15118 | 1/20 | 0.51 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.51 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.51 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 10/20 | 0.47 |
| ▸ | MEN1 | O00255 | 8/20 | 0.47 |
| ▸ | MAPT | P10636 | 7/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.47 |
| ▸ | HPGD | P15428 | 2/20 | 0.47 |
| ▸ | HTT | P42858 | 2/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | HTR1E | P28566 | 1/20 | 0.43 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | RAB9A | P51151 | 3/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.41 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.41 |
| ▸ | RELA | Q04206 | 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 | |
|---|---|---|---|---|
| SCHEMBL8407302 | 0.89 | MAPT (0.51) | PDK1PDK2PDK3PDK4KMT2A | |
| SCHEMBL8407500 | 0.86 | MAPT (0.50) | PDK1PDK2PDK3PDK4KMT2A | |
| SCHEMBL8410731 | 0.83 | HSD11B1 (0.46) | PDK1PDK2PDK3PDK4KMT2A | |
| SCHEMBL8409371 | 0.82 | PDK1 (0.57) | PDK1PDK2PDK3PDK4KMT2A | |
| SCHEMBL8407128 | 0.76 | AR (0.57) | KMT2AMEN1MAPTMAPK1LMNA | |
| SCHEMBL8408906 | 0.75 | AR (0.72) | SMN1; SMN2HTTMAPK1ALDH1A1LMNA | |
| SCHEMBL17054778 | 0.72 | POLB (0.52) | KMT2AMEN1MAPTSMN1; SMN2HPGD | |
| SCHEMBL11668848 | 0.72 | GAA (0.46) | PDK1PDK2PDK3PDK4HTT | |
| SCHEMBL8410597 | 0.72 | AR (0.64) | — | |
| SCHEMBL10967242 | 0.72 | KMT2A (0.47) | PDK1PDK2PDK3PDK4KMT2A |
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 5 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 |