Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM4 | P08173 | 1/20 | 0.50 |
| ▸ | OPRD1 | P41143 | 4/20 | 0.49 |
| ▸ | OPRK1 | P41145 | 3/20 | 0.49 |
| ▸ | CCR1 | P32246 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | NOS2 | P35228 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.46 |
| ▸ | NPC1 | O15118 | 2/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | HRH2 | P25021 | 1/20 | 0.45 |
| ▸ | HRH1 | P35367 | 1/20 | 0.45 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.45 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL6538566 | 0.93 | DRD2 (0.51) | CHRM4OPRD1OPRK1CCR1MEN1 | |
| SCHEMBL14922733 | 0.90 | MEN1 (0.52) | CHRM4OPRD1OPRK1CCR1MEN1 | |
| SCHEMBL751049 | 0.90 | OPRD1 (0.53) | CHRM4OPRD1OPRK1CCR1MEN1 | |
| SCHEMBL751730 | 0.87 | OPRD1 (0.47) | CHRM4OPRD1OPRK1CCR1MEN1 | |
| SCHEMBL8315425 | 0.86 | OPRD1 (0.54) | CHRM4OPRD1OPRK1CCR1MEN1 | |
| SCHEMBL7556949 | 0.85 | CHRM4 (0.61) | CHRM4OPRD1OPRK1CCR1MEN1 | |
| SCHEMBL5740632 | 0.82 | CCR1 (0.50) | CHRM4OPRD1OPRK1CCR1MEN1 | |
| SCHEMBL8696969 | 0.82 | RORC (0.58) | CHRM4OPRD1OPRK1CCR1MEN1 | |
| SCHEMBL16936275 | 0.82 | CCR1 (0.64) | CHRM4OPRD1OPRK1CCR1MEN1 | |
| SCHEMBL19458995 | 0.82 | ACE2 (0.56) | CHRM4OPRD1OPRK1CCR1MEN1 |
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 |
|---|---|---|---|---|---|---|---|
| US-RE44205-E1 | Adenosine A2a receptor antagonists | MERCK SHARP & DOHME CORP. (US) | 2013-05-07 | — | — | US | disclosed |