Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.58 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.58 |
| ▸ | NPC1 | O15118 | 1/20 | 0.58 |
| ▸ | MAPT | P10636 | 1/20 | 0.58 |
| ▸ | HTT | P42858 | 1/20 | 0.58 |
| ▸ | RAB9A | P51151 | 1/20 | 0.58 |
| ▸ | ATM | Q13315 | 1/20 | 0.58 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.58 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.58 |
| ▸ | HK1 | P19367 | 1/20 | 0.54 |
| ▸ | HKDC1 | Q2TB90 | 1/20 | 0.54 |
| ▸ | EGFR | P00533 | 1/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.54 |
| ▸ | POLB | P06746 | 1/20 | 0.54 |
| ▸ | HPGD | P15428 | 1/20 | 0.54 |
| ▸ | AGTR1 | P30556 | 2/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.49 |
| ▸ | FNTA | P49354 | 1/20 | 0.48 |
| ▸ | FNTB | P49356 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL7487890 | 0.89 | ALDH1A1 (0.70) | ALDH1A1SMN1; SMN2NPC1MAPTHTT | |
| SCHEMBL7486797 | 0.85 | CYP11B2 (0.64) | ALDH1A1SMN1; SMN2NPC1MAPTHTT | |
| SCHEMBL7484373 | 0.84 | ALDH1A1 (0.59) | ALDH1A1SMN1; SMN2NPC1MAPTHTT | |
| SCHEMBL15074638 | 0.83 | NSD3 (0.49) | ALDH1A1SMN1; SMN2NPC1MAPTHTT | |
| SCHEMBL7486679 | 0.82 | ALDH1A1 (0.58) | ALDH1A1SMN1; SMN2NPC1MAPTHTT | |
| SCHEMBL7486124 | 0.82 | ALDH1A1 (0.62) | ALDH1A1SMN1; SMN2NPC1MAPTHTT | |
| SCHEMBL4064009 | 0.80 | EGFR (0.46) | ALDH1A1SMN1; SMN2NPC1MAPTHTT | |
| SCHEMBL9183327 | 0.80 | ALDH1A1 (0.56) | ALDH1A1SMN1; SMN2NPC1MAPTHTT | |
| SCHEMBL7489912 | 0.80 | L3MBTL1 (0.57) | ALDH1A1SMN1; SMN2NPC1MAPTHTT | |
| SCHEMBL9568506 | 0.79 | ALDH1A1 (0.58) | ALDH1A1SMN1; SMN2NPC1MAPTHTT |
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 |
|---|---|---|---|---|---|---|---|
| EP-1243268-A1 | MEDICINAL COMPOSITION | Nippon Shinyaku Co., Ltd. (JP) | 2002-09-25 | — | — | EP | disclosed |
| EP-1156045-A1 | AMIDE DERIVATIVES AND DRUG COMPOSITIONS | Nippon Shinyaku Co., Ltd. (JP) | 2001-11-21 | — | — | EP | disclosed |