Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.68 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.68 |
| ▸ | HRH4 | Q9H3N8 | 7/20 | 0.60 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.56 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.54 |
| ▸ | TLR8 | Q9NR97 | 2/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | POLA1 | P09884 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | STK17A | Q9UEE5 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL8600881 | 0.85 | TLR8 (0.69) | CYP2D6CYP2C19HRH4SMN1; SMN2ALDH1A1 | |
| SCHEMBL8055803 | 0.85 | CYP2D6 (0.81) | CYP2D6CYP2C19HRH4SMN1; SMN2ALDH1A1 | |
| SCHEMBL17315544 | 0.84 | CYP2D6 (0.70) | CYP2D6CYP2C19HRH4SMN1; SMN2ALDH1A1 | |
| SCHEMBL8048808 | 0.83 | CYP2D6 (0.79) | CYP2D6CYP2C19HRH4SMN1; SMN2ALDH1A1 | |
| Hydrochloric Acid SCHEMBL8053388 | 0.83 | CYP2D6 (0.79) | CYP2D6CYP2C19HRH4SMN1; SMN2ALDH1A1 | |
| SCHEMBL11752857 | 0.83 | CYP2D6 (0.64) | CYP2D6CYP2C19HRH4SMN1; SMN2ALDH1A1 | |
| SCHEMBL7124897 | 0.82 | CYP2D6 (0.62) | CYP2D6CYP2C19HRH4SMN1; SMN2ALDH1A1 | |
| SCHEMBL7135338 | 0.82 | CYP2D6 (0.62) | CYP2D6CYP2C19HRH4SMN1; SMN2ALDH1A1 | |
| SCHEMBL7117794 | 0.82 | CYP2D6 (0.62) | CYP2D6CYP2C19HRH4SMN1; SMN2ALDH1A1 | |
| SCHEMBL7118699 | 0.82 | CYP2D6 (0.62) | CYP2D6CYP2C19HRH4SMN1; SMN2ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-105143206-B | Pyrimidine -2,4- diamine derivative for treating cancer | 托马斯·黑勒戴药物研究基金会 | 2019-01-15 | — | — | CN | disclosed |