Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 5/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | RECQL | P46063 | 1/20 | 0.32 |
| ▸ | MAOA | P21397 | 2/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.31 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.31 |
| ▸ | TMEM97 | Q5BJF2 | 2/20 | 0.31 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | FKBP1A | P62942 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL20561931 | 0.80 | AOC3 (0.39) | ALDH1A1CYP3A4CYP2D6 | |
| SCHEMBL746762 | 0.74 | LMNA (0.36) | ALDH1A1CYP3A4 | |
| SCHEMBL4321060 | 0.68 | MAOB (0.68) | MAOBMAOACYP3A4KCNH2CYP2D6 | |
| SCHEMBL7345416 | 0.68 | MAOB (0.68) | MAOBMAOACYP3A4KCNH2CYP2D6 | |
| SCHEMBL6847374 | 0.67 | ABCG2 (0.37) | ALDH1A1CYP3A4CYP2D6 | |
| SCHEMBL1099292 | 0.64 | ABCG2 (0.37) | ALDH1A1CYP3A4 | |
| SCHEMBL8570298 | 0.64 | ABCG2 (0.37) | ALDH1A1CYP3A4 | |
| SCHEMBL2595348 | 0.64 | ABCG2 (0.37) | MAOBALDH1A1CYP3A4 | |
| SCHEMBL744928 | 0.64 | ABCG2 (0.37) | MAOBALDH1A1CYP3A4 | |
| SCHEMBL4309152 | 0.62 | MTNR1A (0.48) | ALDH1A1RECQLKCNH2TMEM97SIGMAR1 |
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-6458805-B2 | ANTAGONISTS; ESPECIALLY SODIUM SALTS | TEXAS BIOTECHNOLOGY CORPORATION | 2002-10-01 | — | — | US | disclosed |