Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B1 | P15538 | 2/20 | 0.39 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.39 |
| ▸ | AR | P10275 | 1/20 | 0.37 |
| ▸ | GPR3 | P46089 | 1/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.34 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.34 |
| ▸ | KIF11 | P52732 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | AURKA | O14965 | 1/20 | 0.33 |
| ▸ | TPX2 | Q9ULW0 | 1/20 | 0.33 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.33 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL4567627 | 0.89 | ALOX5AP (0.39) | CYP11B1CYP11B2ARGPR3PTGS2 | |
| SCHEMBL13265423 | 0.89 | ALOX5AP (0.39) | CYP11B1CYP11B2ARGPR3PTGS2 | |
| SCHEMBL10018743 | 0.87 | CYP11B1 (0.32) | CYP11B1CYP11B2ARGPR3MAPT | |
| SCHEMBL17834033 | 0.80 | CYP11B1 (0.34) | CYP11B1CYP11B2ARPTPN5KIF11 | |
| SCHEMBL12889521 | 0.80 | PDE2A (0.45) | CYP11B1CYP11B2ARPTPN5KIF11 | |
| SCHEMBL14075239 | 0.80 | FFAR4 (0.35) | PDK2 | |
| SCHEMBL10052628 | 0.80 | ACHE (0.36) | GPR3MAPTKDM4EALDH1A1ACHE | |
| SCHEMBL17210772 | 0.78 | PDE2A (0.41) | CYP11B1CYP11B2MAPTKDM4ENPC1 | |
| SCHEMBL17550032 | 0.78 | KIF11 (0.46) | KIF11AURKATPX2 | |
| SCHEMBL20118151 | 0.78 | ALOX5AP (0.37) | CYP11B1CYP11B2GPR3PTGS2MAPT |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7888519-B2 | Liquid crystals; using metastasis catalysts; reduction, hydrogenation | MERCK PATENT GESELLSCHAFT (DE) | 2011-02-15 | — | — | US | disclosed |
| US-7888519-B2 | Liquid crystals; using metastasis catalysts; reduction, hydrogenation | MERCK PATENT GESELLSCHAFT (DE) | 2011-02-15 | — | — | US | disclosed |
| US-7314943-B2 | Pyran derivatives containing an exocyclic double bond | MERCK PATENT GMBH (DE) | 2008-01-01 | — | — | US | disclosed |
| US-7314943-B2 | Pyran derivatives containing an exocyclic double bond | MERCK PATENT GMBH (DE) | 2008-01-01 | — | — | US | disclosed |