Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | DCAF1 | Q9Y4B6 | 2/20 | 0.38 |
| ▸ | CASP1 | P29466 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 3/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | IDO1 | P14902 | 2/20 | 0.33 |
| ▸ | TDO2 | P48775 | 2/20 | 0.33 |
| ▸ | IDO2 | Q6ZQW0 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | AVPR2 | P30518 | 1/20 | 0.32 |
| ▸ | AVPR1A | P37288 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | ACP3 | P15309 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL4959934 | 0.85 | CYP1A2 (0.38) | CYP1A2SMN1; SMN2CYP2D6PKMNPSR1 | |
| SCHEMBL4958211 | 0.85 | CYP1A2 (0.38) | CYP1A2SMN1; SMN2CYP2D6PKMNPSR1 | |
| SCHEMBL4962125 | 0.85 | CYP1A2 (0.41) | CYP1A2SMN1; SMN2CYP2D6PKMNPSR1 | |
| SCHEMBL4958709 | 0.78 | ALDH1A1 (0.42) | SMN1; SMN2NPSR1CASP1LMNAALDH1A1 | |
| SCHEMBL4958548 | 0.78 | CES2 (0.35) | CYP1A2SMN1; SMN2CYP2D6PKMNPSR1 | |
| SCHEMBL4960105 | 0.77 | SMN1; SMN2 (0.43) | CYP1A2SMN1; SMN2CYP2D6PKMNPSR1 | |
| SCHEMBL4960354 | 0.75 | ERCC1 (0.40) | SMN1; SMN2PKMLMNAKDM4EALDH1A1 | |
| SCHEMBL4962975 | 0.73 | ALOX5 (0.46) | LMNA | |
| Carisbamate SCHEMBL1037665 | 0.72 | AOC3 (0.49) | CYP1A2SMN1; SMN2CYP2D6PKMNPSR1 | |
| Carisbamate SCHEMBL729003 | 0.72 | AOC3 (0.49) | CYP1A2SMN1; SMN2CYP2D6PKMNPSR1 |
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 |