Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 12/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | MCOLN3 | Q8TDD5 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.37 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 3/20 | 0.37 |
| ▸ | HTT | P42858 | 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 | |
|---|---|---|---|---|
| SCHEMBL8164427 | 0.97 | ALDH1A1 (0.42) | ALDH1A1CYP1A2CYP3A4CYP2C19CYP2D6 | |
| SCHEMBL18186410 | 0.85 | ALDH1A1 (0.43) | ALDH1A1CYP1A2CYP3A4CYP2C19CYP2D6 | |
| SCHEMBL16824953 | 0.85 | ALDH1A1 (0.54) | ALDH1A1CYP1A2CYP3A4CYP2C19CYP2D6 | |
| SCHEMBL16824841 | 0.84 | ALDH1A1 (0.56) | ALDH1A1CYP1A2CYP3A4CYP2C19CYP2D6 | |
| SCHEMBL18186409 | 0.83 | ALDH1A1 (0.43) | ALDH1A1CYP1A2CYP3A4CYP2C19CYP2D6 | |
| SCHEMBL8163944 | 0.81 | CALCA (0.38) | ALDH1A1SMN1; SMN2MAPTGAAHTT | |
| SCHEMBL16824900 | 0.80 | SMN1; SMN2 (0.51) | ALDH1A1CYP1A2CYP3A4CYP2C19CYP2C9 | |
| SCHEMBL8164137 | 0.80 | ALDH1A1 (0.37) | ALDH1A1CYP1A2CYP3A4CYP2C19CYP2D6 | |
| SCHEMBL8156882 | 0.80 | HTT (0.46) | ALDH1A1CYP1A2CYP3A4CYP2C19CYP2D6 | |
| SCHEMBL18186205 | 0.79 | LMNA (0.54) | ALDH1A1CYP1A2CYP3A4CYP2C19CYP2D6 |
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-2008079836-A2 | MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2008-07-03 | — | — | WO | disclosed |