Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPV3 | Q8NET8 | 5/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 6/20 | 0.34 |
| ▸ | TMEM97 | Q5BJF2 | 4/20 | 0.34 |
| ▸ | ESR1 | P03372 | 1/20 | 0.33 |
| ▸ | DYRK3 | O43781 | 1/20 | 0.32 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.32 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.32 |
| ▸ | CDK2 | P24941 | 1/20 | 0.32 |
| ▸ | CDK9 | P50750 | 1/20 | 0.32 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.32 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.32 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.32 |
| ▸ | DYRK2 | Q92630 | 1/20 | 0.32 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.32 |
| ▸ | FAAH | O00519 | 2/20 | 0.32 |
| ▸ | ALOX5 | P09917 | 3/20 | 0.31 |
| ▸ | MMP2 | P08253 | 1/20 | 0.31 |
| ▸ | MMP3 | P08254 | 1/20 | 0.31 |
| ▸ | CASR | P41180 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 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 | |
|---|---|---|---|---|
| SCHEMBL5038605 | 0.83 | ESR1 (0.39) | KCNH2ESR1FAAHALOX5 | |
| SCHEMBL5045489 | 0.81 | FAAH (0.36) | ESR1FAAH | |
| SCHEMBL5035391 | 0.80 | ESR1 (0.38) | KCNH2ESR1FAAHALOX5MEN1 | |
| SCHEMBL7152282 | 0.79 | MAPT (0.40) | KCNH2ESR1ALOX5MEN1KMT2A | |
| SCHEMBL27542429 | 0.76 | ESR1 (0.38) | ESR1MEN1KMT2A | |
| SCHEMBL5039002 | 0.75 | ESR1 (0.33) | ESR1FAAH | |
| SCHEMBL5045382 | 0.75 | LSS (0.36) | KCNH2ESR1 | |
| SCHEMBL5038135 | 0.74 | LSS (0.38) | KCNH2ESR1 | |
| SCHEMBL27542384 | 0.74 | ESR1 (0.39) | ESR1MEN1KMT2A | |
| SCHEMBL5039009 | 0.72 | MAOB (0.41) | ESR1 |
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-1334094-A1 | CHOLESTEROL LOWERING BENZO[B]THIOPHENES AND BENZO[D]ISOTHIAZOLES | F. HOFFMANN-LA ROCHE AG (CH) | 2003-08-13 | — | — | EP | disclosed |
| WO-2002036584-A1 | CHOLESTEROL LOWERING BENZO`B! THIOPHENES AND BENZO`D! ISOTHIAZOLES | F. HOFFMANN-LA ROCHE AG (CH) | 2002-05-10 | — | — | WO | disclosed |