Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | HTR2C | P28335 | 1/20 | 0.46 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.44 |
| ▸ | XIAP | P98170 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | WEE1 | P30291 | 1/20 | 0.39 |
| ▸ | ACACB | O00763 | 1/20 | 0.38 |
| ▸ | CSNK1E | P49674 | 1/20 | 0.38 |
| ▸ | BRPF1 | P55201 | 2/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.37 |
| ▸ | BRD4 | O60885 | 1/20 | 0.37 |
| ▸ | BCL2A1 | Q16548 | 2/20 | 0.37 |
| ▸ | HTR1A | P08908 | 1/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL5631643 | 0.88 | XIAP (0.45) | ALDH1A1LMNAHTR2CHSD11B1XIAP | |
| SCHEMBL5631645 | 0.88 | XIAP (0.45) | ALDH1A1LMNAHTR2CHSD11B1XIAP | |
| SCHEMBL13419413 | 0.86 | ALDH1A1 (0.47) | ALDH1A1LMNAHTR2CHSD11B1XIAP | |
| SCHEMBL22542089 | 0.86 | ALDH1A1 (0.47) | ALDH1A1LMNAHTR2CHSD11B1XIAP | |
| SCHEMBL30952471 | 0.86 | LMNA (0.47) | ALDH1A1LMNAHTR2CHSD11B1XIAP | |
| SCHEMBL21358963 | 0.86 | LMNA (0.47) | ALDH1A1LMNAHTR2CHSD11B1XIAP | |
| SCHEMBL21358968 | 0.86 | LMNA (0.47) | ALDH1A1LMNAHTR2CHSD11B1XIAP | |
| SCHEMBL30952442 | 0.86 | LMNA (0.47) | ALDH1A1LMNAHTR2CHSD11B1XIAP | |
| SCHEMBL21358964 | 0.86 | LMNA (0.47) | ALDH1A1LMNAHTR2CHSD11B1XIAP | |
| SCHEMBL1904404 | 0.86 | ALDH1A1 (0.60) | ALDH1A1LMNAHTR2CHSD11B1XIAP |
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 2 patents. 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 |
| US-RE44205-E1 | Adenosine A2a receptor antagonists | MERCK SHARP & DOHME CORP. (US) | 2013-05-07 | — | — | US | disclosed |