Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 4/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.46 |
| ▸ | NPC1 | O15118 | 2/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | PDE4A | P27815 | 3/20 | 0.45 |
| ▸ | PDE4B | Q07343 | 3/20 | 0.45 |
| ▸ | PDE4C | Q08493 | 3/20 | 0.45 |
| ▸ | PDE4D | Q08499 | 3/20 | 0.45 |
| ▸ | NR1H3 | Q13133 | 2/20 | 0.44 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | QPCT | Q16769 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | PPARG | P37231 | 3/20 | 0.37 |
| ▸ | PPARA | Q07869 | 3/20 | 0.37 |
| ▸ | PPARD | Q03181 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL7692903 | 0.89 | NR1H3 (0.45) | RAB9ASMN1; SMN2PDE4APDE4BPDE4C | |
| SCHEMBL8708036 | 0.88 | QPCT (0.48) | RAB9ATSHRPDE4APDE4BPDE4C | |
| SCHEMBL8712042 | 0.86 | NR1H3 (0.42) | RAB9APDE4APDE4BPDE4CPDE4D | |
| SCHEMBL8707308 | 0.82 | RAB9A (0.69) | RAB9ASMN1; SMN2NPC1TP53TSHR | |
| SCHEMBL7692652 | 0.81 | NR1H3 (0.60) | PDE4APDE4BPDE4CPDE4DNR1H3 | |
| SCHEMBL7698676 | 0.81 | LMNA (0.41) | TSHRPDE4APDE4BPDE4CPDE4D | |
| SCHEMBL7694958 | 0.79 | NR1H3 (0.44) | SMN1; SMN2PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL8713826 | 0.79 | NR1H3 (0.52) | PDE4APDE4BPDE4CPDE4DNR1H3 | |
| SCHEMBL7694754 | 0.79 | MCHR1 (0.43) | RAB9ASMN1; SMN2NPC1TP53PDE4A | |
| SCHEMBL7701165 | 0.77 | HTR2C (0.56) | RAB9ASMN1; SMN2NPC1TP53PDE4A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1998042666-A1 | NOVEL 3,4-DIALKOXYPHENYL DERIVATIVES AND THE USE THEREOF | DAEWOONG PHARMACEUTICAL CO., LTD. (KR) | 1998-10-01 | — | — | WO | disclosed |
| EP-0848705-A1 | CRYSTALLINE R-(R*,R*)]-2-(4-FLUOROPHENYL)-BETA,DELTA-DIHYDROXY-5-(1-METHYLETHYL)-3-PHENYL-4- (PHENYLAMINO)CARBONYL]-1H-PYRROLE-1-HEPTANOIC ACID HEMI CALCIUM SALT (ATORVASTATIN) | WARNER-LAMBERT COMPANY (US) | 1998-06-24 | — | — | EP | disclosed |
| WO-1997003959-A1 | CRYSTALLINE [R-(R*,R*)]-2-(4-FLUOROPHENYL)-BETA,DELTA-DIHYDROXY-5-(1-METHYLETHYL)-3-PHENYL-4-[(PHENYLAMINO)CARBONYL]-1H-PYRROLE-1-HEPTANOIC ACID HEMI CALCIUM SALT (ATORVASTATIN) | WARNER-LAMBERT COMPANY (US) | 1997-02-06 | — | — | WO | disclosed |