Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.39 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.38 |
| ▸ | ERCC5 | P28715 | 2/20 | 0.37 |
| ▸ | FEN1 | P39748 | 2/20 | 0.37 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.36 |
| ▸ | LTA4H | P09960 | 1/20 | 0.36 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.35 |
| ▸ | ACACB | O00763 | 1/20 | 0.34 |
| ▸ | ACACA | Q13085 | 1/20 | 0.34 |
| ▸ | USP2 | O75604 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | ICMT | O60725 | 1/20 | 0.34 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL4962975 | 0.86 | ALOX5 (0.46) | PARP10LTA4HFFAR1 | |
| SCHEMBL4958729 | 0.81 | SMN1; SMN2 (0.38) | SMN1; SMN2CYP1A2CYP2D6PKMNPSR1 | |
| SCHEMBL4960423 | 0.78 | CYP1A2 (0.38) | SMN1; SMN2CYP1A2CYP2D6PKMNPSR1 | |
| SCHEMBL4959933 | 0.77 | CYP1A2 (0.41) | SMN1; SMN2CYP1A2CYP2D6PKMNPSR1 | |
| SCHEMBL4962125 | 0.77 | CYP1A2 (0.41) | SMN1; SMN2CYP1A2CYP2D6PKMNPSR1 | |
| SCHEMBL4960360 | 0.70 | CYP1A2 (0.33) | SMN1; SMN2CYP1A2CYP2D6PKMNPSR1 | |
| SCHEMBL4958548 | 0.70 | CES2 (0.35) | SMN1; SMN2CYP1A2CYP2D6PKMNPSR1 | |
| SCHEMBL4959934 | 0.70 | CYP1A2 (0.38) | SMN1; SMN2CYP1A2CYP2D6PKMNPSR1 | |
| SCHEMBL4960149 | 0.67 | SMN1; SMN2 (0.42) | SMN1; SMN2CYP1A2CYP2D6PKMNPSR1 | |
| SCHEMBL2171204 | 0.66 | PARP10 (0.49) | 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 |