Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A1 | P04798 | 4/20 | 0.63 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.63 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.63 |
| ▸ | APP | P05067 | 9/20 | 0.60 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.58 |
| ▸ | GLA | P06280 | 1/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.57 |
| ▸ | MAPT | P10636 | 1/20 | 0.57 |
| ▸ | HPGD | P15428 | 1/20 | 0.57 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.57 |
| ▸ | CYP1B1 | Q16678 | 3/20 | 0.56 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.56 |
| ▸ | TUBB | P07437 | 1/20 | 0.56 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.56 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.56 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.56 |
| ▸ | TUBB4B | P68371 | 1/20 | 0.56 |
| ▸ | TUBB3 | Q13509 | 1/20 | 0.56 |
| ▸ | TUBB2A | Q13885 | 1/20 | 0.56 |
| ▸ | TUBB8 | Q3ZCM7 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL28045186 | 0.82 | AGTR1 (0.57) | CYP1A1CYP19A1ALDH1A1MAPTHPGD | |
| SCHEMBL9431599 | 0.80 | CYP1A1 (0.80) | CYP1A1PTGS1PTGS2APPCYP19A1 | |
| SCHEMBL9586847 | 0.80 | CYP1A1 (0.80) | CYP1A1PTGS1PTGS2APPCYP19A1 | |
| SCHEMBL28045091 | 0.80 | PTGS2 (0.61) | CYP1A1PTGS1PTGS2APPCYP19A1 | |
| SCHEMBL9173377 | 0.78 | CYP1A1 (0.84) | CYP1A1PTGS1PTGS2APPCYP19A1 | |
| SCHEMBL9173364 | 0.78 | CYP1A1 (0.84) | CYP1A1PTGS1PTGS2APPCYP19A1 | |
| SCHEMBL3396274 | 0.78 | APP (0.74) | PTGS2APPMAPTNFE2L2TTR | |
| SCHEMBL3394666 | 0.78 | APP (0.71) | APPTUBB4ATUBBTUBA3CTUBA1B | |
| Rhapontigenin SCHEMBL19433130 | 0.78 | CYP1A1 (1.00) | CYP1A1PTGS1PTGS2APPCYP19A1 | |
| SCHEMBL30940355 | 0.78 | CYP1A1 (0.79) | CYP1A1PTGS1PTGS2APPCYP19A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-110698413-B | Substituted pyrimidine derivative containing guanidyl, pharmaceutical composition thereof, and preparation method and application thereof | 中国海洋大学 | 2023-01-24 | — | — | CN | claimed |
| CN-110698413-B | Substituted pyrimidine derivative containing guanidyl, pharmaceutical composition thereof, and preparation method and application thereof | 中国海洋大学 | 2023-01-24 | — | — | 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 |