Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | EPHX1 | P07099 | 5/20 | 0.35 |
| ▸ | SCN10A | Q9Y5Y9 | 2/20 | 0.35 |
| ▸ | KIF11 | P52732 | 1/20 | 0.34 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.33 |
| ▸ | NR1H4 | Q96RI1 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL4960105 | 0.81 | SMN1; SMN2 (0.43) | SMN1; SMN2CYP1A2CYP2D6PKMNPSR1 | |
| SCHEMBL4960423 | 0.78 | CYP1A2 (0.38) | SMN1; SMN2CYP1A2CYP2D6PKMNPSR1 | |
| SCHEMBL4962975 | 0.77 | ALOX5 (0.46) | FFAR1 | |
| SCHEMBL4960360 | 0.72 | CYP1A2 (0.33) | SMN1; SMN2CYP1A2CYP2D6PKMNPSR1 | |
| SCHEMBL4962125 | 0.72 | CYP1A2 (0.41) | SMN1; SMN2CYP1A2CYP2D6PKMNPSR1 | |
| SCHEMBL4959934 | 0.70 | CYP1A2 (0.38) | SMN1; SMN2CYP1A2CYP2D6PKMNPSR1 | |
| SCHEMBL4958548 | 0.70 | CES2 (0.35) | SMN1; SMN2CYP1A2CYP2D6PKMNPSR1 | |
| SCHEMBL15784717 | 0.65 | AKT1 (0.36) | SMN1; SMN2NR1H4 | |
| SCHEMBL17045281 | 0.65 | EPHX2 (0.44) | ALDH1A1EPHX1NR1H4 | |
| SCHEMBL4959908 | 0.65 | ALDH1A1 (0.35) | SMN1; SMN2CYP1A2CYP2D6PKMNPSR1 |
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 |