Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | MAOB | P27338 | 1/20 | 0.40 |
| ▸ | AR | P10275 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.36 |
| ▸ | IMPDH1 | P20839 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | GLA | P06280 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL3283035 | 0.82 | TSHR (0.46) | ALDH1A1RAB9ATSHRKDM4EPTGS1 | |
| SCHEMBL30587342 | 0.76 | KDM4E (0.47) | ALDH1A1RAB9ATSHRHPGDKDM4E | |
| SCHEMBL29058037 | 0.76 | KDM4E (0.47) | ALDH1A1RAB9ATSHRHPGDKDM4E | |
| SCHEMBL6971645 | 0.71 | TSHR (0.45) | ALDH1A1RAB9ATSHRKDM4EPTGS1 | |
| SCHEMBL8728263 | 0.71 | ALDH1A1 (0.48) | ALDH1A1MAOBARTSHRKDM4E | |
| SCHEMBL8731809 | 0.71 | ALDH1A1 (0.51) | ALDH1A1MAOBARTSHRHPGD | |
| SCHEMBL16421474 | 0.70 | ALDH1A1 (0.50) | ALDH1A1MAOBRAB9ATSHRHPGD | |
| SCHEMBL28575172 | 0.70 | AR (0.36) | ALDH1A1MAOBARTSHRHPGD | |
| SCHEMBL28571834 | 0.70 | ALDH1A1 (0.50) | ALDH1A1MAOBARKDM4EIMPDH2 | |
| SCHEMBL4595417 | 0.69 | MAOB (0.48) | ALDH1A1MAOBARNPC1RAB9A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2755656-B1 | INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL | MERCK SHARP & DOHME (US) | 2016-09-07 | — | — | EP | disclosed |
| US-9073882-B2 | Inhibitors of the renal outer medullary potassium channel | MERCK SHARP & DOHME CORP. (US) | 2015-07-07 | — | — | US | disclosed |
| EP-2427444-A1 | INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL | Merck Sharp & Dohme Corp. (US) | 2012-03-14 | — | — | EP | disclosed |