Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | CES2 | O00748 | 1/20 | 0.33 |
| ▸ | CES1 | P23141 | 1/20 | 0.33 |
| ▸ | MME | P08473 | 1/20 | 0.31 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.31 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | DCAF1 | Q9Y4B6 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
| ▸ | IDO1 | P14902 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL4958548 | 0.80 | CES2 (0.35) | CYP1A2NPSR1CYP2D6PKMSMN1; SMN2 | |
| SCHEMBL4962125 | 0.79 | CYP1A2 (0.41) | CYP1A2NPSR1CYP2D6PKMSMN1; SMN2 | |
| SCHEMBL4960105 | 0.78 | SMN1; SMN2 (0.43) | CYP1A2NPSR1CYP2D6PKMSMN1; SMN2 | |
| SCHEMBL4958729 | 0.78 | SMN1; SMN2 (0.38) | CYP1A2NPSR1CYP2D6PKMSMN1; SMN2 | |
| SCHEMBL4959934 | 0.75 | CYP1A2 (0.38) | CYP1A2NPSR1CYP2D6PKMSMN1; SMN2 | |
| SCHEMBL4958211 | 0.75 | CYP1A2 (0.38) | CYP1A2NPSR1CYP2D6PKMSMN1; SMN2 | |
| SCHEMBL4962975 | 0.74 | ALOX5 (0.46) | GAA | |
| SCHEMBL4960360 | 0.72 | CYP1A2 (0.33) | CYP1A2NPSR1CYP2D6PKMSMN1; SMN2 | |
| SCHEMBL4959933 | 0.72 | CYP1A2 (0.41) | CYP1A2NPSR1CYP2D6PKMSMN1; SMN2 | |
| SCHEMBL4960151 | 0.67 | PNMT (0.40) | CYP1A2NPSR1CYP2D6PKMSMN1; SMN2 |
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-1879873-A1 | NEUROTHERAPEUTIC AZOLE COMPOUNDS | SK Holdings Co., Ltd. (KR) | 2008-01-23 | — | — | EP | disclosed |
| WO-2006112685-A1 | NEUROTHERAPEUTIC AZOLE COMPOUNDS | SK HOLDINGS CO., LTD. (KR) | 2006-10-26 | — | — | WO | disclosed |