Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 6/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 6/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.35 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.32 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL11326787 | 0.89 | GSR (0.34) | CYP1A2CYP3A4CYP2C9CYP2C19CYP2D6 | |
| SCHEMBL11155872 | 0.86 | SCD (0.36) | RXFP1ALDH1A1HTTL3MBTL1KDM4E | |
| SCHEMBL11326751 | 0.85 | MEN1 (0.40) | CYP3A4CYP2C9CYP2C19ALDH1A1L3MBTL1 | |
| SCHEMBL11326651 | 0.84 | KMT2A (0.40) | CYP3A4CYP2C9CYP2C19CYP2D6ALDH1A1 | |
| SCHEMBL11161977 | 0.83 | CYP2D6 (0.39) | CYP2D6ALDH1A1HTTL3MBTL1KDM4E | |
| SCHEMBL11319336 | 0.82 | ALDH1A1 (0.42) | CYP1A2CYP3A4CYP2C19ALDH1A1HTT | |
| SCHEMBL11326374 | 0.80 | HPGD (0.40) | ALDH1A1KDM4EPOLBGAA | |
| SCHEMBL11326541 | 0.77 | PKM (0.42) | HTTPOLBGAA | |
| SCHEMBL11322664 | 0.76 | TXNRD1 (0.42) | CYP1A2CYP3A4CYP2C9CYP2C19CYP2D6 | |
| SCHEMBL11318948 | 0.76 | RIPK1 (0.36) | ALDH1A1HTTL3MBTL1POLB |
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-4289771-A | BACTERICIDES, FUNGICIDES | BAYER AKTIENGESELLSCHAFT (DE) | 1981-09-15 | — | — | US | disclosed |