Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.35 |
| ▸ | CYP11B1 | P15538 | 9/20 | 0.35 |
| ▸ | CYP11B2 | P19099 | 9/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.34 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.33 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | CETP | P11597 | 2/20 | 0.33 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.32 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.32 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL19635324 | 0.89 | PTGDR2 (0.38) | PTGDR2CYP11B1CYP11B2LMNAGAA | |
| SCHEMBL19635319 | 0.84 | PTGDR2 (0.38) | PTGDR2CYP11B1CYP11B2FFAR1 | |
| SCHEMBL5482888 | 0.74 | KMT2A (0.36) | PTGDR2CYP11B1CYP11B2LMNAGAA | |
| SCHEMBL19635311 | 0.72 | PTGDR2 (0.34) | PTGDR2LMNAGAAKMT2A | |
| SCHEMBL5485146 | 0.72 | MEN1 (0.37) | PTGDR2CYP11B1CYP11B2KMT2A | |
| SCHEMBL5480832 | 0.71 | LMNA (0.48) | PTGDR2LMNAGAA | |
| SCHEMBL29602500 | 0.68 | ALDH1A1 (0.39) | LMNAKMT2A | |
| SCHEMBL19615288 | 0.66 | CYP11B1 (0.31) | CYP11B1CYP11B2 | |
| SCHEMBL29137336 | 0.64 | KDM4E (0.36) | PTGDR2CYP11B1CYP11B2CETP | |
| SCHEMBL1266626 | 0.63 | POLB (0.51) | — |
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-2017198341-A1 | MACROCYCLIC INDOLE DERIVATIVES | BAYER AKTIENGESELLSCHAFT (DE) | 2017-11-23 | — | — | WO | disclosed |