Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TK2 | O00142 | 6/20 | 0.41 |
| ▸ | TK1 | P04183 | 3/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | BLM | P54132 | 1/20 | 0.39 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | UPP1 | Q16831 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7219565 | 1.00 | TK2 (0.41) | TK2TK1CYP1A2CYP3A4TSHR | |
| SCHEMBL23981077 | 0.77 | TK1 (0.35) | TK2TK1CYP1A2CYP3A4TSHR | |
| SCHEMBL7213283 | 0.76 | KMT2A (0.48) | TK1CYP1A2BLMUPP1MAPK1 | |
| SCHEMBL1558433 | 0.76 | TK2 (0.42) | TK2TK1CYP1A2CYP3A4TSHR | |
| SCHEMBL1558432 | 0.76 | TK2 (0.42) | TK2TK1CYP1A2CYP3A4TSHR | |
| SCHEMBL7213472 | 0.74 | UPP1 (0.47) | TK1UPP1MAPK1 | |
| SCHEMBL7219926 | 0.74 | MAPK1 (0.54) | TK2TK1NPSR1MAPK1HPGD | |
| SCHEMBL2180462 | 0.73 | HPGD (0.60) | TK2MAPK1HPGD | |
| SCHEMBL1558585 | 0.73 | HPGD (0.60) | TK2MAPK1HPGD | |
| SCHEMBL6372044 | 0.73 | LMNA (0.56) | CYP1A2CYP3A4 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-RE37979-E1 | Pyrimidine derivatives and anti-viral agent containing the same as active ingredient thereof | MITSUBISHI CHEMICAL CORPORATION | 2003-02-04 | — | — | US | disclosed |
| US-5461060-A | Antiretroviral activity | MITSUBISHI KASEI CORPORATION (JP) | 1995-10-24 | — | — | US | disclosed |
| EP-0420763-A2 | 6-Substituted acyclopyrimidine nucleoside derivatives and antiviral agent containing the same as active ingredient thereof | Mitsubishi Chemical Corporation (JP) | 1991-04-03 | — | — | EP | disclosed |