Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | CYP26A1 | O43174 | 1/20 | 0.34 |
| ▸ | UGT2B7 | P16662 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | GLA | P06280 | 1/20 | 0.33 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.32 |
| ▸ | TNF | P01375 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL8850691 | 0.89 | AKR1C3 (0.37) | SLC6A2SLC6A4SLC6A3KCNH2MEN1 | |
| SCHEMBL8850971 | 0.85 | SMN1; SMN2 (0.37) | ALDH1A1TP53MAPTKDM4EMEN1 | |
| SCHEMBL8850424 | 0.77 | TNF (0.52) | CYP2D6SLC6A2SLC6A4SLC6A3KCNH2 | |
| SCHEMBL8851078 | 0.76 | COMT (0.33) | ALDH1A1CYP2D6TP53KDM4EGAA | |
| SCHEMBL6199826 | 0.71 | UGT2B7 (0.37) | CYP2D6SLC6A2SLC6A4SLC6A3KCNH2 | |
| SCHEMBL8850682 | 0.69 | CYP1A2 (0.40) | ALDH1A1SLC6A2SLC6A4SLC6A3KCNH2 | |
| SCHEMBL9338189 | 0.69 | ALDH1A1 (0.43) | ALDH1A1SLC6A2SLC6A4KMT2A | |
| SCHEMBL27734602 | 0.68 | AKR1C3 (0.52) | CYP2D6SLC6A2SLC6A4SLC6A3KCNH2 | |
| SCHEMBL27463723 | 0.68 | TNF (0.45) | CYP2D6SLC6A2SLC6A4SLC6A3KCNH2 | |
| SCHEMBL6378903 | 0.68 | MMP8 (0.50) | CYP2D6SLC6A2SLC6A4SLC6A3KCNH2 |
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-5688815-A | COMPOUNDS FOR REMOVAL OF EXCESS IRON IN MAMMALS | CIBA GEIGY CORPORATION (US) | 1997-11-18 | — | — | US | disclosed |