Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 9/20 | 0.53 |
| ▸ | ESR2 | Q92731 | 7/20 | 0.53 |
| ▸ | DEGS1 | O15121 | 2/20 | 0.41 |
| ▸ | NR5A1 | Q13285 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | STAT3 | P40763 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.36 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.36 |
| ▸ | TACR2 | P21452 | 2/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | SHBG | P04278 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL18672423 | 0.94 | ESR1 (0.53) | ESR1ESR2DEGS1NR5A1NPC1 | |
| SCHEMBL25015841 | 0.81 | KDM4E (0.37) | ESR1ESR2MAPTKDM4EALDH1A1 | |
| SCHEMBL18879371 | 0.81 | ESR1 (0.55) | ESR1ESR2DEGS1NR5A1NPC1 | |
| SCHEMBL22166120 | 0.79 | APLNR (0.36) | ESR1ESR2 | |
| SCHEMBL19003485 | 0.77 | POLB (0.38) | SMN1; SMN2KDM4E | |
| SCHEMBL25573950 | 0.77 | KDM4E (0.46) | SLC6A3KDM4EALDH1A1HSD17B10 | |
| SCHEMBL18948444 | 0.77 | KDM4E (0.39) | ESR1ESR2MAPTKDM4EALDH1A1 | |
| SCHEMBL24805811 | 0.76 | DEGS1 (0.39) | ESR1DEGS1NR5A1NPC1MAPT | |
| SCHEMBL23871083 | 0.75 | MAPK1 (0.42) | ESR1ESR2NPC1MAPTRAB9A | |
| SCHEMBL18596818 | 0.75 | APLNR (0.38) | ESR1ESR2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9777002-B2 | Inhibitors of the renal outer medullary potassium channel | MERCK SHARP & DOHME CORP. (US) | 2017-10-03 | — | — | US | disclosed |