Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 6/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.46 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.46 |
| ▸ | NSD2 | O96028 | 2/20 | 0.37 |
| ▸ | NSD3 | Q9BZ95 | 2/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | PHLPP2 | Q6ZVD8 | 1/20 | 0.36 |
| ▸ | SLC29A1 | Q99808 | 4/20 | 0.35 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.34 |
| ▸ | POLB | P06746 | 2/20 | 0.32 |
| ▸ | CDK1 | P06493 | 1/20 | 0.32 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.32 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.32 |
| ▸ | CDK2 | P24941 | 1/20 | 0.32 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 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 | |
|---|---|---|---|---|
| SCHEMBL7769163 | 0.93 | CYP1A2 (0.37) | CYP1A2CYP2C19CYP3A4CYP2C9HIF1A | |
| SCHEMBL7119645 | 0.92 | CYP2C19 (0.38) | CYP1A2CYP2C19CYP3A4CYP2C9HIF1A | |
| SCHEMBL7759477 | 0.91 | CYP2C19 (0.38) | CYP1A2CYP2C19CYP3A4CYP2C9HIF1A | |
| SCHEMBL7128679 | 0.91 | CYP1A2 (0.41) | CYP1A2CYP2C19CYP3A4CYP2C9HIF1A | |
| SCHEMBL7769155 | 0.89 | DHFR (0.42) | CYP1A2CYP2C19CYP3A4CYP2C9HIF1A | |
| SCHEMBL6837777 | 0.89 | NSD3 (0.40) | CYP1A2CYP2C19CYP3A4CYP2C9HIF1A | |
| SCHEMBL7118711 | 0.89 | CYP1A2 (0.38) | CYP1A2CYP2C19CYP3A4CYP2C9HIF1A | |
| Hydrochloric Acid SCHEMBL7765789 | 0.89 | NSD3 (0.39) | CYP1A2CYP2C19CYP3A4CYP2C9HIF1A | |
| SCHEMBL7116885 | 0.88 | SLC29A1 (0.41) | CYP1A2CYP2C19CYP3A4CYP2C9HIF1A | |
| SCHEMBL7119981 | 0.88 | CYP2C19 (0.39) | CYP1A2CYP2C19CYP3A4CYP2C9HIF1A |
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-0785208-B1 | Phosphonate nucleotide compounds | MITSUBISHI CHEM CORP (JP) | 2001-03-21 | — | — | EP | disclosed |
| EP-0785208-A1 | Phosphonate nucleotide compounds | MITSUBISHI CHEMICAL CORPORATION (JP) | 1997-07-23 | — | — | EP | disclosed |