Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RXRA | P19793 | 17/20 | 0.53 |
| ▸ | RXRB | P28702 | 7/20 | 0.49 |
| ▸ | CYP26A1 | O43174 | 6/20 | 0.49 |
| ▸ | CYP26B1 | Q9NR63 | 4/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.45 |
| ▸ | RARB | P10826 | 7/20 | 0.44 |
| ▸ | RARG | P13631 | 7/20 | 0.44 |
| ▸ | RXRG | P48443 | 5/20 | 0.44 |
| ▸ | RARA | P10276 | 4/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | GMNN | O75496 | 1/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL6981777 | 0.79 | AKR1C1 (0.41) | ALDH1A1LMNASMN1; SMN2 | |
| SCHEMBL6978477 | 0.76 | LMNA (0.39) | NPC1LMNATP53CYP1A2CYP2C19 | |
| SCHEMBL6971207 | 0.76 | OPRM1 (0.44) | NPC1USP2ALDH1A1TP53RAB9A | |
| SCHEMBL6973280 | 0.76 | SLC6A2 (0.37) | CYP3A4KDM4ENPC1ALDH1A1POLB | |
| SCHEMBL7760432 | 0.76 | RXRA (0.69) | RXRARXRBCYP26A1CYP26B1CYP3A4 | |
| SCHEMBL6971603 | 0.74 | CHRNA1 (0.40) | KDM4ENPC1ALDH1A1LMNARAB9A | |
| SCHEMBL6967893 | 0.74 | CNR1 (0.40) | ALDH1A1 | |
| SCHEMBL6982594 | 0.74 | HSD11B1 (0.39) | CYP3A4NPC1POLBCYP2C19RAB9A | |
| SCHEMBL6982070 | 0.71 | AKR1C1 (0.40) | ALDH1A1LMNACYP1A2NPSR1 | |
| SCHEMBL6981080 | 0.70 | THRB (0.44) | NPC1ALDH1A1LMNARAB9A |
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 |
|---|---|---|---|---|---|---|---|
| EP-1098893-B1 | CYCLIC COMPOUNDS USEFUL IN THE TREATMENT OF DYSLIPIDEMIA, ATHEROSCLEROSIS AND DIABETES, PHARMACEUTICAL COMPOSITIONS AND PREPARATION PROCESS | MERCK PATENT GMBH (DE) | 2003-03-26 | — | — | EP | disclosed |
| EP-1098893-A1 | CYCLIC COMPOUNDS USEFUL IN THE TREATMENT OF DYSLIPIDEMIA, ATHEROSCLEROSIS AND DIABETES, PHARMACEUTICAL COMPOSITIONS AND PREPARATION PROCESS | MERCK PATENT GmbH (DE) | 2001-05-16 | — | — | EP | disclosed |
| WO-2000004011-A1 | CYCLIC COMPOUNDS USEFUL IN THE TREATMENT OF DYSLIPIDAEMIA, ATHEROSCLEROSIS AND DIABETES, PHARMACEUTICAL COMPOSITIONS AND PREPARATION PROCESS | MERCK PATENT GMBH (DE) | 2000-01-27 | — | — | WO | disclosed |