Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.47 |
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | MAOA | P21397 | 2/20 | 0.39 |
| ▸ | MAOB | P27338 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | DAO | P14920 | 1/20 | 0.34 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.34 |
| ▸ | FBP1 | P09467 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 4/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.33 |
| ▸ | HTT | P42858 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL7961412 | 0.76 | NPC1 (0.42) | SLC6A3NPC1RAB9ASMN1; SMN2MEN1 | |
| SCHEMBL16386296 | 0.70 | ATP4A (0.55) | NPC1RAB9ASMN1; SMN2MAOAMEN1 | |
| SCHEMBL4635750 | 0.70 | RAB9A (0.53) | NPC1RAB9ASMN1; SMN2DAOMAPT | |
| SCHEMBL22296504 | 0.67 | MEN1 (0.42) | NPC1RAB9ASMN1; SMN2MAOAMAOB | |
| SCHEMBL6027934 | 0.65 | L3MBTL1 (0.50) | SLC6A3MAPTL3MBTL1ALDH1A1LMNA | |
| SCHEMBL21393293 | 0.64 | — | — | |
| SCHEMBL19287281 | 0.64 | — | — | |
| SCHEMBL22296507 | 0.64 | ATP4A (0.41) | NPC1RAB9ASMN1; SMN2MAOAMEN1 | |
| SCHEMBL3605815 | 0.63 | L3MBTL1 (0.50) | NPC1RAB9ASMN1; SMN2MAOAMAOB | |
| SCHEMBL778040 | 0.63 | MAOA (0.45) | NPC1RAB9ASMN1; SMN2MAOAMAOB |
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 |
|---|---|---|---|---|---|---|---|
| EP-3018125-B1 | NOVEL COMPOUND, ORGANIC CATION TRANSPORTER 3 DETECTION AGENT, AND ORGANIC CATION TRANSPORTER 3 ACTIVITY INHIBITOR | SHIN NIPPON BIOMEDICAL LABORATORIES LTD (JP) | 2020-08-05 | — | — | EP | disclosed |