Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | NQO2 | P16083 | 1/20 | 0.40 |
| ▸ | VEGFA | P15692 | 1/20 | 0.37 |
| ▸ | TUBB4A | P04350 | 2/20 | 0.37 |
| ▸ | TUBB | P07437 | 2/20 | 0.37 |
| ▸ | TUBA3C | P0DPH7 | 2/20 | 0.37 |
| ▸ | TUBA1B | P68363 | 2/20 | 0.37 |
| ▸ | TUBA4A | P68366 | 2/20 | 0.37 |
| ▸ | TUBB4B | P68371 | 2/20 | 0.37 |
| ▸ | TUBB3 | Q13509 | 2/20 | 0.37 |
| ▸ | TUBB2A | Q13885 | 2/20 | 0.37 |
| ▸ | TUBB8 | Q3ZCM7 | 2/20 | 0.37 |
| ▸ | TUBA3E | Q6PEY2 | 2/20 | 0.37 |
| ▸ | TUBA1A | Q71U36 | 2/20 | 0.37 |
| ▸ | TUBA1C | Q9BQE3 | 2/20 | 0.37 |
| ▸ | TUBB6 | Q9BUF5 | 2/20 | 0.37 |
| ▸ | TUBB2B | Q9BVA1 | 2/20 | 0.37 |
| ▸ | TUBB1 | Q9H4B7 | 2/20 | 0.37 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.37 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL5207737 | 0.89 | ALDH1A1 (0.58) | ALDH1A1NQO2TUBB4ATUBBTUBA3C | |
| SCHEMBL760689 | 0.84 | CA12 (0.39) | CA1CYP4F2CYP4A11 | |
| SCHEMBL28194644 | 0.82 | CA12 (0.38) | CA1 | |
| SCHEMBL27977711 | 0.82 | CA12 (0.38) | CA1 | |
| SCHEMBL168353 | 0.82 | ALDH1A1 (0.69) | ALDH1A1NQO2TUBB4ATUBBTUBA3C | |
| SCHEMBL22769689 | 0.81 | ALDH1A1 (0.48) | ALDH1A1TUBB4ATUBBTUBA3CTUBA1B | |
| SCHEMBL28080318 | 0.79 | ALDH1A1 (0.46) | ALDH1A1TUBB4ATUBBTUBA3CTUBA1B | |
| SCHEMBL7234709 | 0.78 | ALDH1A1 (0.55) | ALDH1A1NQO2CYP1A1CYP1B1PTGS1 | |
| SCHEMBL30889325 | 0.77 | — | — | |
| SCHEMBL31412866 | 0.77 | CA12 (0.50) | PTGS1CA1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116529238-A | Novel prostaglandin E 2 Compounds with receptor inhibiting activity and uses thereof | 治纳辅医药科技有限公司 | 2023-08-01 | — | — | CN | disclosed |