Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 7/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.43 |
| ▸ | HPGD | P15428 | 3/20 | 0.43 |
| ▸ | HTT | P42858 | 3/20 | 0.43 |
| ▸ | GFER | P55789 | 3/20 | 0.43 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 3/20 | 0.43 |
| ▸ | CNR2 | P34972 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | USP2 | O75604 | 3/20 | 0.41 |
| ▸ | LMNA | P02545 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL9649906 | 0.85 | CYP1A2 (0.46) | CYP1A2CYP3A4CYP2D6CYP2C19MAPT | |
| SCHEMBL7045574 | 0.80 | CYP1A2 (0.48) | CYP1A2CYP3A4CYP2D6CYP2C19MAPT | |
| SCHEMBL5526595 | 0.80 | CNR1 (0.41) | CYP1A2CYP3A4CYP2D6CYP2C19MAPT | |
| SCHEMBL19938116 | 0.80 | CNR1 (0.41) | CYP1A2CYP3A4CYP2D6CYP2C19MAPT | |
| SCHEMBL19420444 | 0.77 | CNR2 (0.51) | CNR2MEN1KMT2ACNR1 | |
| SCHEMBL15326043 | 0.77 | GFER (0.41) | CYP1A2CYP3A4CYP2D6CYP2C19MAPT | |
| SCHEMBL9648339 | 0.76 | TDP1 (0.52) | CYP1A2CYP3A4CYP2D6CYP2C19MAPT | |
| SCHEMBL29540381 | 0.76 | CYP1A2 (0.49) | CYP1A2CYP3A4CYP2D6CYP2C19MAPT | |
| SCHEMBL11146469 | 0.76 | ALDH1A1 (0.50) | CYP1A2CYP3A4CYP2D6CYP2C19MAPT | |
| SCHEMBL9651151 | 0.75 | MAPT (0.49) | CYP1A2CYP3A4CYP2D6CYP2C19MAPT |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0297710-B1 | DISPERSE DYES | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1992-12-02 | — | — | EP | disclosed |
| US-4881943-A | Disperse dyes: nitro-thiophene azo dyes for bright blue shades on polyester | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1989-11-21 | — | — | US | disclosed |