Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.57 |
| ▸ | CES1 | P23141 | 1/20 | 0.57 |
| ▸ | LMNA | P02545 | 4/20 | 0.55 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.55 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.55 |
| ▸ | P4HTM | Q9NXG6 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | GSK3B | P49841 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 5/20 | 0.46 |
| ▸ | RAB9A | P51151 | 5/20 | 0.46 |
| ▸ | PKM | P14618 | 4/20 | 0.46 |
| ▸ | CDK5 | Q00535 | 2/20 | 0.46 |
| ▸ | CDK5R1 | Q15078 | 2/20 | 0.46 |
| ▸ | MITF | O75030 | 1/20 | 0.46 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.46 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.46 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL1382335 | 1.00 | CES2 (0.57) | CES2CES1LMNAL3MBTL1NAPRT | |
| SCHEMBL3349775 | 0.84 | CES2 (0.57) | CES2CES1LMNAL3MBTL1NAPRT | |
| SCHEMBL4318952 | 0.83 | CES2 (0.75) | CES2CES1LMNAL3MBTL1NAPRT | |
| SCHEMBL6611666 | 0.82 | CES2 (0.59) | CES2CES1LMNAL3MBTL1NAPRT | |
| SCHEMBL755762 | 0.82 | LMNA (0.63) | CES2CES1LMNAL3MBTL1NAPRT | |
| SCHEMBL4336990 | 0.80 | CES2 (0.57) | CES2CES1LMNAL3MBTL1NAPRT | |
| SCHEMBL4341948 | 0.80 | ALDH1A1 (0.48) | CES2CES1LMNAL3MBTL1NAPRT | |
| Hydrochloric Acid SCHEMBL1769091 | 0.80 | LMNA (0.61) | CES2CES1LMNAL3MBTL1NAPRT | |
| SCHEMBL21585663 | 0.79 | CES2 (0.52) | CES2CES1LMNAL3MBTL1NAPRT | |
| SCHEMBL4361791 | 0.79 | — | — |
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-117396474-A | Plasma kallikrein inhibitors | 武田药品工业株式会社 | 2024-01-12 | — | — | CN | disclosed |
| CN-116096719-A | Pyridazinylamino derivatives as ALK5 inhibitors | 奇斯药制品公司 | 2023-05-09 | — | — | CN | disclosed |