Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.39 |
| ▸ | LMNA | P02545 | 4/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.38 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | IDO1 | P14902 | 1/20 | 0.34 |
| ▸ | BRD4 | O60885 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL13345042 | 0.80 | NPSR1 (0.44) | ALDH1A1LMNASLC6A2SLC6A4SLC6A3 | |
| SCHEMBL17790348 | 0.80 | NPSR1 (0.41) | ALDH1A1LMNASLC6A2SLC6A4SLC6A3 | |
| SCHEMBL8282330 | 0.79 | CA12 (0.46) | ALDH1A1LMNASLC6A2SLC6A4SLC6A3 | |
| SCHEMBL1077214 | 0.77 | ALDH1A1 (0.43) | ALDH1A1MEN1MAPTKMT2A | |
| SCHEMBL1371755 | 0.76 | NPSR1 (0.44) | ALDH1A1LMNASLC6A2SLC6A4SLC6A3 | |
| SCHEMBL2188253 | 0.75 | HSD17B1 (0.49) | ALDH1A1LMNASLC6A2SLC6A4SLC6A3 | |
| SCHEMBL7688037 | 0.75 | RXRA (0.44) | ALDH1A1LMNAPTGDR2MEN1MAPT | |
| SCHEMBL23961645 | 0.74 | S1PR1 (0.36) | SLC6A4NPSR1IDO1 | |
| SCHEMBL1662507 | 0.72 | L3MBTL1 (0.41) | ALDH1A1LMNAMEN1MAPTKMT2A | |
| SCHEMBL16261615 | 0.72 | LMNA (0.54) | ALDH1A1LMNAPTGDR2MEN1MAPT |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011106929-A1 | INHIBITORS OF HEPATITIS C VIRUS NS5B POLYMERASE | MERCK SHARP & DOHME CORP. (US) | 2011-09-09 | — | — | WO | disclosed |