Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PLK1 | P53350 | 1/20 | 0.48 |
| ▸ | TUBB4A | P04350 | 8/20 | 0.48 |
| ▸ | TUBB | P07437 | 8/20 | 0.48 |
| ▸ | TUBA3C | P0DPH7 | 8/20 | 0.48 |
| ▸ | TUBA1B | P68363 | 8/20 | 0.48 |
| ▸ | TUBA4A | P68366 | 8/20 | 0.48 |
| ▸ | TUBB4B | P68371 | 8/20 | 0.48 |
| ▸ | TUBB3 | Q13509 | 8/20 | 0.48 |
| ▸ | TUBB2A | Q13885 | 8/20 | 0.48 |
| ▸ | TUBB8 | Q3ZCM7 | 8/20 | 0.48 |
| ▸ | TUBA3E | Q6PEY2 | 8/20 | 0.48 |
| ▸ | TUBA1A | Q71U36 | 8/20 | 0.48 |
| ▸ | TUBA1C | Q9BQE3 | 8/20 | 0.48 |
| ▸ | TUBB6 | Q9BUF5 | 8/20 | 0.48 |
| ▸ | TUBB2B | Q9BVA1 | 8/20 | 0.48 |
| ▸ | TUBB1 | Q9H4B7 | 8/20 | 0.48 |
| ▸ | PTK2 | Q05397 | 5/20 | 0.42 |
| ▸ | PTK2B | Q14289 | 3/20 | 0.42 |
| ▸ | MAOA | P21397 | 2/20 | 0.39 |
| ▸ | MAOB | P27338 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL30513600 | 0.88 | TUBB4A (0.60) | TUBB4ATUBBTUBA3CTUBA1BTUBA4A | |
| SCHEMBL28638429 | 0.88 | TUBB4A (0.60) | TUBB4ATUBBTUBA3CTUBA1BTUBA4A | |
| SCHEMBL28637100 | 0.86 | TUBB4A (0.56) | TUBB4ATUBBTUBA3CTUBA1BTUBA4A | |
| SCHEMBL28651468 | 0.84 | TUBB4A (0.56) | TUBB4ATUBBTUBA3CTUBA1BTUBA4A | |
| SCHEMBL28638138 | 0.82 | PTK2 (0.44) | PTK2PTK2BMAOAMAOBITGB3 | |
| SCHEMBL28653435 | 0.81 | SYK (0.47) | TUBB4ATUBBTUBA3CTUBA1BTUBA4A | |
| SCHEMBL28637805 | 0.81 | MKNK1 (0.47) | PTK2PTK2BMAOAMAOBITGB3 | |
| SCHEMBL28640000 | 0.80 | MAOA (0.51) | TUBB4ATUBBTUBA3CTUBA1BTUBA4A | |
| SCHEMBL28633109 | 0.79 | PTK2 (0.42) | PTK2PTK2BMAOAMAOBITGB3 | |
| SCHEMBL28648385 | 0.78 | PTK2 (0.41) | TUBB4ATUBBTUBA3CTUBA1BTUBA4A |
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-112759549-B | 3-substituted amino-4- ((substituted pyridinyl) amino) cyclobut-3-ene-1, 2-dione compounds | 中国医学科学院药物研究所 | 2023-07-28 | — | — | CN | disclosed |
| CN-112759549-A | 3-substituted amino-4- ((substituted pyridyl) amino) cyclobut-3-ene-1, 2-diones | 中国医学科学院药物研究所 | 2021-05-07 | — | — | CN | disclosed |