Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.42 |
| ▸ | CCR6 | P51684 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 7/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | ESR1 | P03372 | 1/20 | 0.41 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.41 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.41 |
| ▸ | HMGB1 | P09429 | 1/20 | 0.41 |
| ▸ | GGT1 | P19440 | 1/20 | 0.41 |
| ▸ | BLM | P54132 | 1/20 | 0.41 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL26093154 | 0.84 | MAPT (0.42) | MAPTSMN1; SMN2ALDH1A1TDP1HPGD | |
| SCHEMBL27816923 | 0.84 | MAPT (0.38) | HSP90AA1CCR6MAPTSMN1; SMN2ALDH1A1 | |
| SCHEMBL2131472 | 0.83 | ALDH1A1 (0.50) | HSP90AA1CCR6MAPTSMN1; SMN2MAPK1 | |
| SCHEMBL17005575 | 0.82 | TSHR (0.51) | HSP90AA1CCR6MAPTSMN1; SMN2MAPK1 | |
| SCHEMBL30297160 | 0.81 | TDP1 (0.53) | MAPTSMN1; SMN2ALDH1A1TDP1HPGD | |
| SCHEMBL6117 | 0.81 | TDP1 (0.53) | MAPTSMN1; SMN2ALDH1A1TDP1HPGD | |
| SCHEMBL25331485 | 0.81 | TSHR (0.50) | HSP90AA1CCR6MAPTSMN1; SMN2MAPK1 | |
| SCHEMBL28641176 | 0.81 | TLR8 (0.43) | HSP90AA1CCR6MAPTSMN1; SMN2MAPK1 | |
| SCHEMBL10499780 | 0.81 | ACHE (0.44) | HSP90AA1CCR6MAPTSMN1; SMN2MAPK1 | |
| SCHEMBL5631653 | 0.80 | HSP90AA1 (0.40) | HSP90AA1CCR6MAPTSMN1; SMN2MAPK1 |
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-2632464-A1 | INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL | Merck Sharp & Dohme Corp. (US) | 2013-09-04 | — | — | EP | disclosed |
| WO-2012058134-A1 | INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL | MERCK SHARP & DOHME CORP. (US) | 2012-05-03 | — | — | WO | disclosed |