Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GLA | P06280 | 1/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.56 |
| ▸ | MAPT | P10636 | 1/20 | 0.56 |
| ▸ | HPGD | P15428 | 1/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.56 |
| ▸ | CYP1A1 | P04798 | 5/20 | 0.51 |
| ▸ | CYP1B1 | Q16678 | 4/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.51 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.51 |
| ▸ | TUBB | P07437 | 1/20 | 0.51 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.51 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.51 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.51 |
| ▸ | TUBB4B | P68371 | 1/20 | 0.51 |
| ▸ | TUBB3 | Q13509 | 1/20 | 0.51 |
| ▸ | TUBB2A | Q13885 | 1/20 | 0.51 |
| ▸ | TUBB8 | Q3ZCM7 | 1/20 | 0.51 |
| ▸ | TUBA3E | Q6PEY2 | 1/20 | 0.51 |
| ▸ | TUBA1A | Q71U36 | 1/20 | 0.51 |
| ▸ | TUBA1C | Q9BQE3 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL28045131 | 0.85 | TUBB1 (0.57) | CYP1A1CYP1B1CYP1A2TUBB4ATUBB | |
| SCHEMBL28344655 | 0.83 | ALDH1A1 (0.65) | ALDH1A1MAPTHPGDSMN1; SMN2CYP1A1 | |
| SCHEMBL8854378 | 0.77 | CYP1A1 (0.65) | GLAALDH1A1MAPTHPGDSMN1; SMN2 | |
| SCHEMBL22010235 | 0.77 | CYP1A1 (0.65) | GLAALDH1A1MAPTHPGDSMN1; SMN2 | |
| SCHEMBL9586847 | 0.77 | CYP1A1 (0.80) | ALDH1A1MAPTHPGDSMN1; SMN2CYP1A1 | |
| SCHEMBL9431599 | 0.77 | CYP1A1 (0.80) | ALDH1A1MAPTHPGDSMN1; SMN2CYP1A1 | |
| SCHEMBL25244768 | 0.75 | ALDH1A1 (0.63) | ALDH1A1MAPTHPGDSMN1; SMN2CYP1A1 | |
| SCHEMBL29413780 | 0.75 | ALDH1A1 (0.63) | ALDH1A1MAPTHPGDSMN1; SMN2CYP1A1 | |
| SCHEMBL9173364 | 0.75 | CYP1A1 (0.84) | ALDH1A1MAPTHPGDSMN1; SMN2CYP1A1 | |
| SCHEMBL9173377 | 0.75 | CYP1A1 (0.84) | ALDH1A1MAPTHPGDSMN1; SMN2CYP1A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-105198820-B | A kind of substituted pyrimidines compound of the group containing isothiourea and its preparation method and application | 中国海洋大学 | 2019-10-01 | — | — | CN | disclosed |
| CN-105198820-A | Substituted pyrimidine compound containing isothiourea perssad and preparation method and application thereof | OCEAN UNIV CHINA | 2015-12-30 | — | — | CN | disclosed |