Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | NOS1 | P29475 | 1/20 | 0.30 |
| ▸ | NOS2 | P35228 | 1/20 | 0.30 |
| ▸ | ATM | Q13315 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9977803 | 0.83 | CYP2D6 (0.34) | — | |
| SCHEMBL13146309 | 0.70 | NOS1 (0.33) | NOS1NOS2 | |
| SCHEMBL20104022 | 0.69 | TLR4 (0.43) | HPGDALDH1A1 | |
| SCHEMBL12441829 | 0.69 | TLR4 (0.43) | HPGDALDH1A1 | |
| SCHEMBL9442231 | 0.69 | MAPK1 (0.46) | HPGDALDH1A1ATM | |
| SCHEMBL26679307 | 0.69 | MAPK1 (0.46) | HPGDALDH1A1ATM | |
| SCHEMBL5897639 | 0.68 | MAPK1 (0.44) | HPGDALDH1A1ATM | |
| SCHEMBL7561339 | 0.67 | TSHR (0.44) | TSHRALDH1A1 | |
| SCHEMBL9977801 | 0.65 | MEN1 (0.32) | TSHRHPGDALDH1A1 | |
| SCHEMBL14569653 | 0.64 | TSHR (0.41) | TSHRALDH1A1 |
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-2012083117-A1 | INHIBITORS OF INFLUENZA VIRUSES REPLICATION | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-06-21 | — | — | WO | disclosed |