Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | DCTPP1 | Q9H773 | 2/20 | 0.32 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.32 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.32 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.32 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.32 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.32 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.32 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | MITF | O75030 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | AGTR1 | P30556 | 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 | |
|---|---|---|---|---|
| SCHEMBL11806359 | 0.87 | LMNA (0.38) | CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1 | |
| SCHEMBL11813265 | 0.87 | ALDH1A1 (0.36) | CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1 | |
| SCHEMBL11855183 | 0.86 | ALDH1A1 (0.36) | CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1 | |
| SCHEMBL11825070 | 0.84 | ALDH1A1 (0.37) | CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1 | |
| SCHEMBL11873078 | 0.82 | TDP1 (0.34) | CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1 | |
| SCHEMBL11812193 | 0.81 | MBOAT4 (0.32) | — | |
| SCHEMBL11810808 | 0.77 | LMNA (0.39) | ALDH1A1DCTPP1NPC1MITFLMNA | |
| SCHEMBL11855873 | 0.74 | S1PR1 (0.35) | CYP3A4CYP2D6CYP2C19ALDH1A1TSHR | |
| SCHEMBL11816808 | 0.74 | ALDH1A1 (0.38) | CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1 | |
| SCHEMBL11865094 | 0.74 | ABL1 (0.37) | CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1 |
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-3954788-A | INTERMEDIATES FOR HERBIDIDES | UNITED STATES BORAX & CHEMICAL CORPORATION (US) | 1976-05-04 | — | — | US | disclosed |