Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 3/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.31 |
| ▸ | ADH1A | P07327 | 2/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.30 |
| ▸ | ADH1C | P00326 | 1/20 | 0.30 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL8159835 | 0.76 | CYP2D6 (0.39) | CYP2D6CYP1A2CYP2C19HIF1AADH1A | |
| SCHEMBL6039335 | 0.76 | ADH1A (0.41) | CYP2D6ADH1ACYP2C9ADH1CHSD17B10 | |
| SCHEMBL6039709 | 0.71 | ADH1A (0.33) | ADH1AADH1C | |
| SCHEMBL3954034 | 0.70 | ADH1A (0.36) | CYP2D6CYP1A2CYP2C19ADH1ACYP2C9 | |
| SCHEMBL14067386 | 0.68 | ADH1A (0.43) | CYP2D6CYP1A2CYP2C19ADH1ACYP2C9 | |
| SCHEMBL4520995 | 0.68 | HRH4 (0.38) | CYP2D6ADH1AADH1CHSD17B10 | |
| SCHEMBL7742694 | 0.67 | ADH1A (0.41) | CYP2D6ADH1AADH1CHSD17B10 | |
| SCHEMBL740408 | 0.67 | ADH1A (0.41) | CYP2D6ADH1AADH1CHSD17B10 | |
| SCHEMBL11186154 | 0.65 | TDP1 (0.42) | CYP2C19TSHR | |
| SCHEMBL7746771 | 0.64 | DPP4 (0.36) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2006038001-A1 | AMINOPYRIMIDINE DERIVATIVES AS JNK INHIBITORS | CELLTECH R & D LIMITED (GB) | 2006-04-13 | — | — | WO | disclosed |