Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.39 |
| ▸ | PDK2 | Q15119 | 2/20 | 0.36 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.36 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.36 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.36 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.35 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.35 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.33 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.33 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.33 |
| ▸ | CNR2 | P34972 | 1/20 | 0.32 |
| ▸ | RARG | P13631 | 2/20 | 0.31 |
| ▸ | RARB | P10826 | 1/20 | 0.31 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.31 |
| ▸ | JAK3 | P52333 | 1/20 | 0.31 |
| ▸ | DHODH | Q02127 | 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 | |
|---|---|---|---|---|
| SCHEMBL17486224 | 0.84 | KDM1A (0.35) | SIGMAR1CHRNB2CHRNA4CHRNB4CHRNA3 | |
| SCHEMBL19295089 | 0.78 | LPL (0.37) | DGAT1 | |
| SCHEMBL17486228 | 0.76 | ALDH1A1 (0.34) | SIGMAR1CHRNB2CHRNA4CNR2RARG | |
| SCHEMBL17486185 | 0.76 | CYP11B1 (0.35) | SIGMAR1CYP11B1CYP11B2 | |
| SCHEMBL17485979 | 0.75 | IKBKB (0.36) | SIGMAR1PDK2PDK4CNR2RARG | |
| SCHEMBL20805515 | 0.75 | CYP11B1 (0.35) | CYP11B1CYP11B2 | |
| SCHEMBL24602339 | 0.72 | RPS6KA3 (0.45) | CYP11B1CYP11B2DHODH | |
| SCHEMBL17485972 | 0.72 | SIGMAR1 (0.33) | SIGMAR1CHRNB2CHRNA4CHRNB4CHRNA3 | |
| SCHEMBL17486126 | 0.71 | KDM1A (0.33) | SIGMAR1CHRNB2CHRNA4CHRNB4CHRNA3 | |
| SCHEMBL17486157 | 0.71 | PTGDR2 (0.33) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2016015815-A1 | METAL COMPLEXES | MERCK PATENT GMBH (DE) | 2016-02-04 | — | — | WO | disclosed |