Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AGTR1 | P30556 | 1/20 | 0.57 |
| ▸ | TUBB1 | Q9H4B7 | 10/20 | 0.55 |
| ▸ | TUBB4A | P04350 | 8/20 | 0.55 |
| ▸ | TUBB | P07437 | 8/20 | 0.55 |
| ▸ | TUBA3C | P0DPH7 | 8/20 | 0.55 |
| ▸ | TUBA1B | P68363 | 8/20 | 0.55 |
| ▸ | TUBA4A | P68366 | 8/20 | 0.55 |
| ▸ | TUBB4B | P68371 | 8/20 | 0.55 |
| ▸ | TUBB3 | Q13509 | 8/20 | 0.55 |
| ▸ | TUBB2A | Q13885 | 8/20 | 0.55 |
| ▸ | TUBB8 | Q3ZCM7 | 8/20 | 0.55 |
| ▸ | TUBA3E | Q6PEY2 | 8/20 | 0.55 |
| ▸ | TUBA1A | Q71U36 | 8/20 | 0.55 |
| ▸ | TUBA1C | Q9BQE3 | 8/20 | 0.55 |
| ▸ | TUBB6 | Q9BUF5 | 8/20 | 0.55 |
| ▸ | TUBB2B | Q9BVA1 | 8/20 | 0.55 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.55 |
| ▸ | SLCO2B1 | O94956 | 1/20 | 0.55 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.55 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL28824643 | 0.82 | CYP1A1 (0.63) | TUBB1TUBB4ATUBBTUBA3CTUBA1B | |
| SCHEMBL4608533 | 0.80 | CYP1A1 (0.79) | TUBB1TUBB4ATUBBTUBA3CTUBA1B | |
| SCHEMBL4608535 | 0.80 | CYP1A1 (0.79) | TUBB1TUBB4ATUBBTUBA3CTUBA1B | |
| SCHEMBL2357479 | 0.78 | ABL1 (0.69) | TUBB1TUBB4ATUBBTUBA3CTUBA1B | |
| SCHEMBL10307425 | 0.78 | CYP3A4 (0.68) | TUBB1TUBB4ATUBBTUBA3CTUBA1B | |
| SCHEMBL2357485 | 0.78 | ABL1 (0.69) | TUBB1TUBB4ATUBBTUBA3CTUBA1B | |
| SCHEMBL5073624 | 0.77 | TUBB1 (0.74) | TUBB1TUBB4ATUBBTUBA3CTUBA1B | |
| SCHEMBL5073634 | 0.77 | TUBB1 (0.74) | TUBB1TUBB4ATUBBTUBA3CTUBA1B | |
| SCHEMBL5073618 | 0.77 | TUBB1 (0.74) | TUBB1TUBB4ATUBBTUBA3CTUBA1B | |
| SCHEMBL5073637 | 0.77 | TUBB1 (0.74) | TUBB1TUBB4ATUBBTUBA3CTUBA1B |
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 |