Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 4/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | CES2 | O00748 | 3/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | DAO | P14920 | 1/20 | 0.41 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.39 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.39 |
| ▸ | GSK3B | P49841 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 4/20 | 0.38 |
| ▸ | BLM | P54132 | 2/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.38 |
| ▸ | CA2 | P00918 | 2/20 | 0.38 |
| ▸ | CA4 | P22748 | 2/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | PARP1 | P09874 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL1751898 | 1.00 | CES1 (0.41) | CES1ALDH1A1CES2TSHRDAO | |
| SCHEMBL8463882 | 0.69 | CES1 (0.48) | CES1ALDH1A1CES2TSHRDAO | |
| SCHEMBL9767756 | 0.67 | CES1 (0.46) | CES1ALDH1A1CES2TSHRDAO | |
| SCHEMBL9767764 | 0.67 | CES1 (0.46) | CES1ALDH1A1CES2TSHRDAO | |
| SCHEMBL6698945 | 0.67 | CES1 (0.46) | CES1ALDH1A1CES2TSHRDAO | |
| SCHEMBL28433377 | 0.67 | LMNA (0.50) | CES1ALDH1A1CES2TSHRDAO | |
| SCHEMBL9767838 | 0.67 | CES1 (0.46) | CES1ALDH1A1CES2TSHRDAO | |
| SCHEMBL11341980 | 0.67 | CES1 (0.46) | CES1ALDH1A1CES2TSHRDAO | |
| SCHEMBL12083412 | 0.67 | LMNA (0.42) | CES1ALDH1A1CES2TSHRDAO | |
| SCHEMBL27652461 | 0.65 | LMNA (0.44) | CES1ALDH1A1CES2TSHRDAO |
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-110573495-B | Trans-isomeric heterocyclic compounds and process for preparing same | 浙江医药股份有限公司新昌制药厂 | 2023-04-11 | — | — | CN | claimed |
| CN-110573495-B | Trans-isomeric heterocyclic compounds and process for preparing same | 浙江医药股份有限公司新昌制药厂 | 2023-04-11 | — | — | CN | disclosed |
| US-5512581-A | ANTIINFLAMMATORY AGENT | ABBOTT LABORATORIES (US) | 1996-04-30 | — | — | US | disclosed |