Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 9/20 | 0.65 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.64 |
| ▸ | GAA | P10253 | 3/20 | 0.64 |
| ▸ | HTT | P42858 | 3/20 | 0.64 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.64 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.64 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.64 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.64 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.64 |
| ▸ | LMNA | P02545 | 4/20 | 0.58 |
| ▸ | MAPT | P10636 | 3/20 | 0.58 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.50 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.49 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | HTR6 | P50406 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL4765045 | 0.85 | NPSR1 (0.65) | NPSR1ALDH1A1GAAHTTCYP1A2 | |
| SCHEMBL14101807 | 0.82 | NPSR1 (0.57) | NPSR1ALDH1A1GAAHTTCYP1A2 | |
| SCHEMBL4722026 | 0.82 | NPSR1 (0.57) | NPSR1ALDH1A1GAAHTTCYP1A2 | |
| SCHEMBL4722259 | 0.82 | NPSR1 (0.57) | NPSR1ALDH1A1GAAHTTCYP1A2 | |
| SCHEMBL4722946 | 0.82 | NPSR1 (0.57) | NPSR1ALDH1A1GAAHTTCYP1A2 | |
| SCHEMBL4720608 | 0.81 | NPSR1 (0.56) | NPSR1ALDH1A1GAAHTTCYP1A2 | |
| SCHEMBL30719634 | 0.79 | NPSR1 (0.79) | NPSR1ALDH1A1GAAHTTCYP1A2 | |
| SCHEMBL9231347 | 0.79 | NPSR1 (0.79) | NPSR1ALDH1A1GAAHTTCYP1A2 | |
| SCHEMBL4719119 | 0.78 | NPSR1 (0.53) | NPSR1ALDH1A1GAAHTTCYP1A2 | |
| SCHEMBL4724747 | 0.77 | NPSR1 (0.74) | NPSR1ALDH1A1GAAHTTCYP1A2 |
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-1953147-A1 | HETEROCYCLIC COMPOUND AND MEDICINAL APPLICATION THEREOF | Japan Tobacco, Inc. (JP) | 2008-08-06 | — | — | EP | disclosed |
| EP-1953147-A1 | HETEROCYCLIC COMPOUND AND MEDICINAL APPLICATION THEREOF | Japan Tobacco, Inc. (JP) | 2008-08-06 | — | — | EP | disclosed |