Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RRM1 | P23921 | 1/20 | 0.41 |
| ▸ | RRM2 | P31350 | 1/20 | 0.41 |
| ▸ | RRM2B | Q7LG56 | 1/20 | 0.41 |
| ▸ | CISD1 | Q9NZ45 | 1/20 | 0.41 |
| ▸ | NOS3 | P29474 | 2/20 | 0.36 |
| ▸ | NOS1 | P29475 | 2/20 | 0.36 |
| ▸ | NOS2 | P35228 | 2/20 | 0.36 |
| ▸ | BACE1 | P56817 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.34 |
| ▸ | MEN1 | O00255 | 3/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.32 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | BLM | P54132 | 1/20 | 0.32 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | HPGD | P15428 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL23570007 | 0.85 | TLR8 (0.42) | RRM1RRM2RRM2BCISD1NOS3 | |
| SCHEMBL23612118 | 0.82 | CYP1A2 (0.39) | RRM1RRM2RRM2BCISD1NOS3 | |
| SCHEMBL23612117 | 0.82 | CYP1A2 (0.39) | RRM1RRM2RRM2BCISD1NOS3 | |
| SCHEMBL22448499 | 0.80 | RRM1 (0.44) | RRM1RRM2RRM2BCISD1NOS3 | |
| SCHEMBL22239425 | 0.78 | NOS3 (0.42) | NOS3NOS1NOS2KMT2AMEN1 | |
| SCHEMBL21759880 | 0.77 | KDM4E (0.35) | ALDH1A1LMNAMAPTKDM4EHPGD | |
| SCHEMBL18215495 | 0.77 | NFE2L2 (0.51) | — | |
| SCHEMBL14292504 | 0.76 | NOS2 (0.44) | NOS3NOS1NOS2BACE1KMT2A | |
| SCHEMBL14149889 | 0.76 | NOS2 (0.44) | NOS3NOS1NOS2BACE1KMT2A | |
| SCHEMBL25549343 | 0.76 | RRM1 (0.41) | RRM1RRM2RRM2BCISD1NOS3 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2680851-B1 | FUSED BICYCLIC HETEROCYCLES USEFUL AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS | MERCK SHARP & DOHME (US) | 2016-08-17 | — | — | EP | disclosed |