Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.56 |
| ▸ | MAPT | P10636 | 3/20 | 0.56 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.56 |
| ▸ | LMNA | P02545 | 2/20 | 0.56 |
| ▸ | HPGD | P15428 | 1/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.56 |
| ▸ | TUBB1 | Q9H4B7 | 1/20 | 0.52 |
| ▸ | RAB9A | P51151 | 4/20 | 0.51 |
| ▸ | NPC1 | O15118 | 3/20 | 0.51 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.51 |
| ▸ | MAOB | P27338 | 2/20 | 0.47 |
| ▸ | CCR5 | P51681 | 1/20 | 0.46 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.46 |
| ▸ | MAOA | P21397 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | RECQL | P46063 | 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 | |
|---|---|---|---|---|
| SCHEMBL21347524 | 0.90 | TUBB1 (0.59) | ALDH1A1MAPTL3MBTL1LMNAHPGD | |
| SCHEMBL5290849 | 0.89 | ALDH1A1 (0.56) | ALDH1A1MAPTL3MBTL1LMNAHPGD | |
| SCHEMBL7147744 | 0.88 | TUBB1 (0.66) | ALDH1A1MAPTL3MBTL1LMNAHPGD | |
| SCHEMBL7146795 | 0.85 | MAOB (0.58) | ALDH1A1MAPTL3MBTL1LMNAHPGD | |
| SCHEMBL5628127 | 0.84 | CCR5 (0.63) | ALDH1A1MAPTL3MBTL1LMNAHPGD | |
| SCHEMBL5631282 | 0.84 | TUBB1 (0.51) | ALDH1A1MAPTL3MBTL1LMNAHPGD | |
| SCHEMBL29859226 | 0.84 | CCR5 (0.63) | ALDH1A1MAPTL3MBTL1LMNAHPGD | |
| SCHEMBL29227167 | 0.84 | LMNA (0.58) | ALDH1A1MAPTL3MBTL1LMNAHPGD | |
| SCHEMBL5628019 | 0.84 | MAPT (0.51) | ALDH1A1MAPTL3MBTL1LMNAHPGD | |
| SCHEMBL8167293 | 0.84 | PTGER1 (0.55) | ALDH1A1MAPTL3MBTL1LMNAHPGD |
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-113563368-A | Boron-containing small molecules | 比尔及梅琳达盖茨基金会 | 2021-10-29 | — | — | CN | disclosed |
| WO-2007008037-A1 | NOVEL CHROMEN-2-ONE BASED HYDROXAMIC ACID DERIVATIVES HAVING ANTI-INFLAMMATORY ACTIVITY, THE PREPARATION THEREOF AND A COMPOSITION CONTAINING THE SAME FOR TREATING INFLAMMATORY DISEASE | JEIL PHARMACEUTICAL CO., LTD. (KR) | 2007-01-18 | — | — | WO | disclosed |