Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAP2K1 | Q02750 | 1/20 | 0.58 |
| ▸ | TSHR | P16473 | 3/20 | 0.50 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.48 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.48 |
| ▸ | PDE4A | P27815 | 6/20 | 0.47 |
| ▸ | PDE4B | Q07343 | 4/20 | 0.47 |
| ▸ | PDE4C | Q08493 | 4/20 | 0.47 |
| ▸ | PDE4D | Q08499 | 4/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | VEGFA | P15692 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL18117753 | 0.83 | TSHR (0.69) | MAP2K1TSHRPDE4APDE4BPDE4C | |
| SCHEMBL1268717 | 0.83 | TSHR (0.69) | MAP2K1TSHRPDE4APDE4BPDE4C | |
| SCHEMBL6689809 | 0.83 | TSHR (0.57) | MAP2K1TSHRPDE4APDE4BPDE4C | |
| SCHEMBL25669122 | 0.81 | ALDH2 (0.52) | MAP2K1TSHRPDE4APDE4BPDE4C | |
| SCHEMBL20408750 | 0.81 | ALDH2 (0.52) | MAP2K1TSHRPDE4APDE4BPDE4C | |
| SCHEMBL14492202 | 0.80 | ALDH1A1 (0.55) | MAP2K1TSHRDDB1CRBNALDH1A1 | |
| SCHEMBL20001268 | 0.78 | HTR3A (0.53) | TSHRALDH1A1KMT2AMAPK1SMN1; SMN2 | |
| SCHEMBL861968 | 0.78 | ALDH2 (0.46) | MAP2K1TSHRDDB1CRBNPDE4A | |
| SCHEMBL12562573 | 0.78 | ALDH2 (0.46) | TSHRDDB1CRBNPDE4APDE4B | |
| SCHEMBL28169080 | 0.78 | ALDH2 (0.46) | TSHRDDB1CRBNPDE4APDE4B |
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-2018054549-A1 | 6-MEMBERED CYCLIC AMINES OR LACTAMES SUBSTITUTED WITH UREA AND PHENYL | Grünenthal GmbH (DE) | 2018-03-29 | — | — | WO | disclosed |