Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.60 |
| ▸ | KDM1A | O60341 | 1/20 | 0.48 |
| ▸ | HTR6 | P50406 | 5/20 | 0.47 |
| ▸ | HTR3E | A5X5Y0 | 2/20 | 0.47 |
| ▸ | HTR3B | O95264 | 2/20 | 0.47 |
| ▸ | HTR3A | P46098 | 2/20 | 0.47 |
| ▸ | HTR3D | Q70Z44 | 2/20 | 0.47 |
| ▸ | HTR3C | Q8WXA8 | 2/20 | 0.47 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.47 |
| ▸ | DRD2 | P14416 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | DRD3 | P35462 | 1/20 | 0.47 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | HTR7 | P34969 | 2/20 | 0.43 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.42 |
| ▸ | ACVR1 | Q04771 | 1/20 | 0.42 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.42 |
| ▸ | NCF1 | P14598 | 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 | |
|---|---|---|---|---|
| SCHEMBL8433491 | 0.94 | ALDH1A1 (0.64) | ALDH1A1KDM1AHTR6HTR3EHTR3B | |
| SCHEMBL8108206 | 0.84 | HTR3A (0.56) | ALDH1A1HTR6HTR3EHTR3BHTR3A | |
| SCHEMBL30918446 | 0.83 | ALDH1A1 (0.57) | ALDH1A1KDM1AHTR6HTR3EHTR3B | |
| SCHEMBL29232386 | 0.83 | ALDH1A1 (0.57) | ALDH1A1KDM1AHTR6HTR3EHTR3B | |
| SCHEMBL2766363 | 0.82 | HTR3E (0.54) | ALDH1A1HTR6HTR3EHTR3BHTR3A | |
| SCHEMBL8431903 | 0.80 | ALDH1A1 (0.56) | ALDH1A1KDM1AHTR6OPRL1 | |
| SCHEMBL30073656 | 0.79 | ALDH1A1 (0.75) | ALDH1A1DRD2DRD3LMNAMAPT | |
| SCHEMBL8295259 | 0.79 | ALDH1A1 (0.75) | ALDH1A1DRD2DRD3LMNAMAPT | |
| SCHEMBL19709317 | 0.77 | HTR3E (0.58) | HTR6HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL24989042 | 0.77 | ADRB1 (0.51) | HTR6HTR3EHTR3BHTR3AHTR3D |
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-2744499-A1 | INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL | Merck Sharp & Dohme Corp. (US) | 2014-06-25 | — | — | EP | disclosed |
| WO-2013028474-A1 | INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL | MERCK SHARP & DOHME CORP. (US) | 2013-02-28 | — | — | WO | disclosed |