Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 5/20 | 0.47 |
| ▸ | SLC29A1 | Q99808 | 6/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 6/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.45 |
| ▸ | HIF1A | Q16665 | 4/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.45 |
| ▸ | CDK1 | P06493 | 3/20 | 0.40 |
| ▸ | CCNB1 | P14635 | 3/20 | 0.40 |
| ▸ | CCNE1 | P24864 | 3/20 | 0.40 |
| ▸ | CDK2 | P24941 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | PHLPP2 | Q6ZVD8 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | TLR9 | Q9NR96 | 2/20 | 0.34 |
| ▸ | TLR7 | Q9NYK1 | 2/20 | 0.34 |
| ▸ | NSD2 | O96028 | 1/20 | 0.32 |
| ▸ | NSD3 | Q9BZ95 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL7595179 | 0.84 | CYP2C19 (0.49) | CYP2C19SLC29A1CYP1A2CYP2C9HIF1A | |
| SCHEMBL7596236 | 0.84 | SLC29A1 (0.39) | CYP2C19SLC29A1CYP1A2CYP2C9HIF1A | |
| Hydrochloric Acid SCHEMBL7592338 | 0.84 | CYP2C19 (0.48) | CYP2C19SLC29A1CYP1A2CYP2C9HIF1A | |
| SCHEMBL15532061 | 0.83 | SLC29A1 (0.40) | CYP2C19SLC29A1CYP1A2CYP2C9HIF1A | |
| SCHEMBL7765668 | 0.83 | SLC29A1 (0.43) | CYP2C19SLC29A1CYP1A2CYP2C9HIF1A | |
| SCHEMBL15532145 | 0.82 | SLC29A1 (0.41) | CYP2C19SLC29A1CYP1A2CYP2C9HIF1A | |
| SCHEMBL15532188 | 0.82 | SLC29A1 (0.44) | CYP2C19SLC29A1CYP1A2CYP2C9HIF1A | |
| SCHEMBL6838428 | 0.82 | NSD3 (0.40) | CYP2C19SLC29A1CYP1A2CYP2C9HIF1A | |
| SCHEMBL7765688 | 0.81 | SLC29A1 (0.41) | CYP2C19SLC29A1CYP1A2CYP2C9HIF1A | |
| SCHEMBL7593647 | 0.80 | CYP2C19 (0.46) | CYP2C19SLC29A1CYP1A2CYP2C9HIF1A |
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-6194398-B1 | VIRICIDES AGAINST HUMAN IMMUNODEFICIENCY VIRUS, HERPES SIMPLEX VIRUS, HEPATITIS B VIRUS; ANTITUMOR AGENTS; SIDE EFFECT REDUCTION; ORAL ABSORPTION BIOAVAILABILITY; A 2-AMINO-6-HYDROCARBYLTHIO-9-(2-(PHOSPHONOMETHOXY)ETHYL-9H-PURINE | MITSUBISHI CHEMICAL CORPORATION (JP) | 2001-02-27 | — | — | US | disclosed |