Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.59 |
| ▸ | CES2 | O00748 | 1/20 | 0.52 |
| ▸ | CES1 | P23141 | 1/20 | 0.52 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.50 |
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.50 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.50 |
| ▸ | P4HTM | Q9NXG6 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | PTGS2 | P35354 | 4/20 | 0.45 |
| ▸ | HTT | P42858 | 2/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | GSK3B | P49841 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 3/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL1706580 | 0.84 | ALDH1A1 (0.59) | ALDH1A1CES2CES1L3MBTL1LMNA | |
| SCHEMBL5154121 | 0.80 | ALDH1A1 (0.59) | ALDH1A1CES2CES1L3MBTL1LMNA | |
| SCHEMBL29118788 | 0.78 | ALDH1A1 (0.52) | ALDH1A1CES2CES1L3MBTL1LMNA | |
| SCHEMBL1272064 | 0.78 | ALDH1A1 (0.52) | ALDH1A1CES2CES1L3MBTL1LMNA | |
| SCHEMBL28596744 | 0.76 | ALDH1A1 (0.53) | ALDH1A1CES2CES1L3MBTL1LMNA | |
| 2-Picolinic Acid SCHEMBL28914674 | 0.74 | LMNA (0.77) | ALDH1A1CES2CES1L3MBTL1LMNA | |
| SCHEMBL55127 | 0.74 | — | — | |
| SCHEMBL29358072 | 0.74 | — | — | |
| Methyl Alcohol SCHEMBL27687010 | 0.74 | ALDH1A1 (1.00) | ALDH1A1CES2CES1L3MBTL1LMNA | |
| SCHEMBL1921316 | 0.73 | ALDH1A1 (0.67) | ALDH1A1CES2CES1L3MBTL1LMNA |
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-1512880-A | Novel compounds and compositions as cathepsin inhibitors | AXYSҩ�﹫˾ | 2004-07-14 | — | — | CN | claimed |
| CN-1512880-A | Novel compounds and compositions as cathepsin inhibitors | AXYSҩ�﹫˾ | 2004-07-14 | — | — | CN | disclosed |