Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.55 |
| ▸ | NPC1 | O15118 | 2/20 | 0.55 |
| ▸ | RAB9A | P51151 | 2/20 | 0.55 |
| ▸ | HTT | P42858 | 1/20 | 0.55 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.55 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.44 |
| ▸ | MPO | P05164 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.42 |
| ▸ | IDO1 | P14902 | 2/20 | 0.41 |
| ▸ | BACE1 | P56817 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | KDM1A | O60341 | 1/20 | 0.40 |
| ▸ | MAOA | P21397 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | NOS3 | P29474 | 1/20 | 0.39 |
| ▸ | NOS1 | P29475 | 1/20 | 0.39 |
| ▸ | NOS2 | P35228 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL10573978 | 0.79 | MPO (0.51) | ALDH1A1NPC1RAB9AHTTL3MBTL1 | |
| SCHEMBL27460114 | 0.78 | HSPA5 (0.59) | ALDH1A1L3MBTL1TAAR1KDM4EIDO1 | |
| SCHEMBL9390374 | 0.78 | NOS3 (0.59) | ALDH1A1TAAR1BACE1KDM1AMAOA | |
| SCHEMBL30534419 | 0.77 | NPC1 (0.44) | ALDH1A1NPC1RAB9AHTTL3MBTL1 | |
| SCHEMBL2259723 | 0.77 | LTA4H (0.53) | L3MBTL1BACE1KDM1AMAOAMAOB | |
| SCHEMBL3301625 | 0.77 | TAAR1 (0.59) | ALDH1A1L3MBTL1TAAR1MPOKDM4E | |
| SCHEMBL29973134 | 0.76 | BACE1 (0.43) | NPC1RAB9AHTTL3MBTL1MPO | |
| SCHEMBL9485705 | 0.76 | NPC1 (0.49) | ALDH1A1NPC1RAB9AHTTL3MBTL1 | |
| SCHEMBL6079375 | 0.76 | LTA4H (0.61) | ALDH1A1NPC1RAB9AHTTL3MBTL1 | |
| SCHEMBL16211565 | 0.76 | L3MBTL1 (0.53) | ALDH1A1L3MBTL1TAAR1BACE1KDM1A |
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-109970635-B | Preparation method and application of aminopyridine derivative | 万华化学集团股份有限公司 | 2020-07-28 | — | — | CN | disclosed |