Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.58 |
| ▸ | CES2 | O00748 | 1/20 | 0.56 |
| ▸ | CES1 | P23141 | 1/20 | 0.56 |
| ▸ | LMNA | P02545 | 3/20 | 0.54 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.54 |
| ▸ | P4HTM | Q9NXG6 | 2/20 | 0.54 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | GSK3B | P49841 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 3/20 | 0.44 |
| ▸ | MAPT | P10636 | 3/20 | 0.44 |
| ▸ | RAB9A | P51151 | 3/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.44 |
| ▸ | GAA | P10253 | 2/20 | 0.44 |
| ▸ | PKM | P14618 | 2/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL1408599 | 0.97 | CES2 (0.58) | ALDH1A1CES2CES1LMNAL3MBTL1 | |
| SCHEMBL10824241 | 0.84 | KMT2A (0.59) | ALDH1A1CES2CES1LMNAL3MBTL1 | |
| SCHEMBL30736102 | 0.83 | — | — | |
| SCHEMBL177744 | 0.83 | — | — | |
| SCHEMBL28576081 | 0.82 | KMT2A (0.50) | ALDH1A1CES2CES1LMNAL3MBTL1 | |
| SCHEMBL28472398 | 0.82 | CTNNB1 (0.57) | ALDH1A1CES2CES1LMNAL3MBTL1 | |
| Terephthalic Acid SCHEMBL27871539 | 0.82 | NAPRT (0.62) | ALDH1A1CES2CES1LMNAL3MBTL1 | |
| Hydrochloric Acid SCHEMBL4201173 | 0.81 | ALDH1A1 (0.59) | ALDH1A1CES2CES1LMNAL3MBTL1 | |
| Bromide SCHEMBL17845857 | 0.81 | ALDH1A1 (0.59) | ALDH1A1CES2CES1LMNAL3MBTL1 | |
| Iodide SCHEMBL28203944 | 0.81 | ALDH1A1 (0.59) | ALDH1A1CES2CES1LMNAL3MBTL1 |
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-109422771-B | Hydrothermally stable anion pillared hybrid porous material and preparation method and application thereof | 浙江大学 | 2020-07-24 | — | — | CN | disclosed |