Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.44 |
| ▸ | TRPV1 | Q8NER1 | 4/20 | 0.44 |
| ▸ | PLK1 | P53350 | 1/20 | 0.43 |
| ▸ | MGLL | Q99685 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | TLR2 | O60603 | 2/20 | 0.39 |
| ▸ | TLR1 | Q15399 | 2/20 | 0.39 |
| ▸ | PPARG | P37231 | 2/20 | 0.39 |
| ▸ | PPARD | Q03181 | 2/20 | 0.39 |
| ▸ | PPARA | Q07869 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 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 | |
|---|---|---|---|---|
| SCHEMBL8162170 | 0.86 | TSHR (0.53) | ALDH1A1PLK1KDM4EKMT2A | |
| SCHEMBL8156613 | 0.83 | HDAC1 (0.52) | ALDH1A1SMN1; SMN2MGLLHTTKDM4E | |
| SCHEMBL8158408 | 0.81 | ALDH1A1 (0.53) | ALDH1A1CYP2C19KMT2A | |
| SCHEMBL8150254 | 0.81 | ALDH1A1 (0.53) | ALDH1A1CYP2C19KMT2A | |
| SCHEMBL8156126 | 0.81 | ALDH1A1 (0.53) | ALDH1A1CYP2C19KMT2A | |
| SCHEMBL8151178 | 0.79 | PTPN1 (0.54) | ALDH1A1CYP2C19KMT2APPARG | |
| SCHEMBL8156064 | 0.79 | PTPN1 (0.54) | ALDH1A1CYP2C19KMT2APPARG | |
| SCHEMBL8158324 | 0.78 | HDAC1 (0.45) | ALDH1A1SMN1; SMN2MGLLHTTCYP1A2 | |
| SCHEMBL8157553 | 0.78 | GAA (0.56) | ALDH1A1PLK1KDM4EKMT2APPARG | |
| SCHEMBL8158316 | 0.76 | L3MBTL1 (0.41) | ALDH1A1KMT2A |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6046183-A | SYNERGISTIC MIXTURE OF FINASTERIDE AND DOXAZOSIN | MERCK & CO., INC. (US) | 2000-04-04 | — | — | US | disclosed |
| US-5994362-A | ADMINISTERING FINASTERIDE AND CASODEX | MERCK & CO., INC. (US) | 1999-11-30 | — | — | US | disclosed |
| US-5753641-A | SYNERGISTIC THERAPY COMPRISING FINASTERIDE AND TERAZOSIN DRUGS | MERCK & CO., INC. (US) | 1998-05-19 | — | — | US | disclosed |
| EP-0576603-A1 | PHARMACEUTICAL COMBINATION FOR THE TREATMENT OF PROSTATIC HYPERPLASIA, CONTAINING A 5 ALPHA-REDUCTASE INHIBITOR AND AN ANTIANDROGEN | MERCK & CO. INC. (US) | 1994-01-05 | — | — | EP | disclosed |
| EP-0525885-A1 | New sulphur containing nonsteroidal drugs as 5-alpha reductase inhibitors | MERCK & CO. INC. (US) | 1993-02-03 | — | — | EP | disclosed |
| WO-1992018132-A1 | PHARMACEUTICAL COMBINATION FOR THE TREATMENT OF BENIGN PROSTATIC HYPERPLASIA COMTAINING A 5 ALPHA-REDUCTASE INHIBITOR | MERCK & CO., INC. (US) | 1992-10-29 | — | — | WO | disclosed |
| WO-1992016213-A1 | PHARMACEUTICAL COMBINATION FOR THE TREATMENT OF PROSTATIC HYPERPLASIA, CONTAINING A 5 ALPHA-REDUCTASE INHIBITOR AND AN ANTIANDROGEN | MERCK & CO., INC. (US) | 1992-10-01 | — | — | WO | 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 |