Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | DGKA | P23743 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | CES2 | O00748 | 3/20 | 0.38 |
| ▸ | GMNN | O75496 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | BLM | P54132 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | PAM | P19021 | 2/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | ESR1 | P03372 | 1/20 | 0.35 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.35 |
| ▸ | FAAH | O00519 | 4/20 | 0.34 |
| ▸ | CES1 | P23141 | 4/20 | 0.34 |
| ▸ | PLA2G6 | O60733 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL9709135 | 0.82 | GPR84 (0.52) | ALDH1A1MAPTGMNNTP53POLB | |
| SCHEMBL7793662 | 0.80 | DGKA (0.52) | ALDH1A1DGKAMAPTCES2HSD17B10 | |
| SCHEMBL19071558 | 0.80 | TSHR (0.52) | ALDH1A1DGKAMAPTCES2GMNN | |
| Iodide SCHEMBL6069090 | 0.79 | DGKA (0.50) | ALDH1A1DGKAMAPTCES2LMNA | |
| SCHEMBL26650862 | 0.79 | TSHR (0.50) | ALDH1A1DGKAMAPTCES2GMNN | |
| SCHEMBL849161 | 0.79 | DGKA (0.50) | ALDH1A1DGKAMAPTHSD17B10LMNA | |
| SCHEMBL29435917 | 0.78 | DGKA (0.53) | ALDH1A1DGKAMAPTCES2HSD17B10 | |
| SCHEMBL4446360 | 0.78 | DGKA (0.53) | ALDH1A1DGKAMAPTCES2HSD17B10 | |
| SCHEMBL2898744 | 0.78 | DGKA (0.53) | ALDH1A1DGKAMAPTCES2HSD17B10 | |
| SCHEMBL3918186 | 0.78 | DGKA (0.53) | ALDH1A1DGKAMAPTCES2HSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| 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-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 |