Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AR | P10275 | 9/20 | 0.50 |
| ▸ | NPC1 | O15118 | 3/20 | 0.46 |
| ▸ | RAB9A | P51151 | 3/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.44 |
| ▸ | BCL9 | O00512 | 1/20 | 0.43 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | GLA | P06280 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | PGR | P06401 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL16929988 | 0.82 | CA2 (0.50) | NPC1HSD17B10BCL9CTNNB1KMT2A | |
| SCHEMBL2723599 | 0.81 | AR (0.56) | ARNPC1RAB9AHSD17B10TP53 | |
| SCHEMBL26093135 | 0.80 | ALDH1A1 (0.53) | NPC1HSD17B10TP53BCL9CTNNB1 | |
| SCHEMBL8838326 | 0.80 | KDM4E (0.49) | RAB9AHSD17B10BCL9CTNNB1KMT2A | |
| SCHEMBL120380 | 0.77 | KMT2A (0.48) | HSD17B10TP53BCL9CTNNB1KMT2A | |
| SCHEMBL10801524 | 0.77 | BCL9 (0.48) | HSD17B10BCL9CTNNB1KMT2AALDH1A1 | |
| SCHEMBL17536366 | 0.76 | MTNR1B (0.63) | ARIMPDH2ALDH1A1 | |
| SCHEMBL1608900 | 0.75 | AR (0.69) | ARIMPDH2ALDH1A1KDM4EGAA | |
| SCHEMBL13784760 | 0.75 | AR (0.62) | ARALDH1A1KDM4ELMNAHTT | |
| SCHEMBL28338340 | 0.75 | ALDH1A1 (0.52) | NPC1RAB9ATP53KMT2AALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2427444-A1 | INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL | Merck Sharp & Dohme Corp. (US) | 2012-03-14 | — | — | EP | disclosed |
| WO-2010129379-A1 | INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL | MERCK SHARP & DOHME CORP. (US) | 2010-11-11 | — | — | WO | disclosed |