Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 6/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.55 |
| ▸ | GAA | P10253 | 4/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.55 |
| ▸ | HTT | P42858 | 2/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.55 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.52 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 4/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 2/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | ALOX5 | P09917 | 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 | |
|---|---|---|---|---|
| SCHEMBL4720162 | 0.90 | NPSR1 (0.53) | NPSR1ALDH1A1GAACYP1A2CYP2D6 | |
| SCHEMBL4721582 | 0.88 | NPSR1 (0.51) | NPSR1ALDH1A1GAACYP1A2CYP2D6 | |
| SCHEMBL4765045 | 0.88 | NPSR1 (0.65) | NPSR1ALDH1A1GAACYP1A2CYP2D6 | |
| SCHEMBL4721903 | 0.87 | NPSR1 (0.50) | NPSR1ALDH1A1GAACYP1A2CYP2D6 | |
| SCHEMBL4721504 | 0.84 | NPSR1 (0.50) | NPSR1ALDH1A1GAACYP1A2CYP2D6 | |
| SCHEMBL4721130 | 0.82 | NPSR1 (0.55) | NPSR1ALDH1A1GAACYP1A2CYP2D6 | |
| SCHEMBL4719774 | 0.80 | NPSR1 (0.55) | NPSR1ALDH1A1GAACYP1A2CYP2D6 | |
| SCHEMBL4719910 | 0.80 | NPSR1 (0.55) | NPSR1ALDH1A1GAACYP1A2CYP2D6 | |
| SCHEMBL4724196 | 0.80 | NPSR1 (0.52) | NPSR1ALDH1A1GAACYP1A2CYP2D6 | |
| SCHEMBL4720806 | 0.79 | NPSR1 (0.54) | NPSR1ALDH1A1GAACYP1A2CYP2D6 |
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 |