Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | TMEM97 | Q5BJF2 | 3/20 | 0.38 |
| ▸ | HPGD | P15428 | 3/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.38 |
| ▸ | HTR2B | P41595 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.38 |
| ▸ | HTR3B | O95264 | 1/20 | 0.38 |
| ▸ | HTR3A | P46098 | 1/20 | 0.38 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.38 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.37 |
| ▸ | MC4R | P32245 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL14657564 | 0.91 | ALDH1A1 (0.48) | ALDH1A1L3MBTL1TMEM97HPGDHSD17B10 | |
| SCHEMBL5415973 | 0.88 | ALDH1A1 (0.44) | ALDH1A1L3MBTL1TMEM97HPGDHSD17B10 | |
| SCHEMBL17362924 | 0.88 | ALDH1A1 (0.44) | ALDH1A1L3MBTL1TMEM97HPGDHSD17B10 | |
| SCHEMBL5415989 | 0.88 | ALDH1A1 (0.44) | ALDH1A1L3MBTL1TMEM97HPGDHSD17B10 | |
| SCHEMBL2144064 | 0.88 | ALDH1A1 (0.44) | ALDH1A1L3MBTL1TMEM97HPGDHSD17B10 | |
| SCHEMBL30449122 | 0.88 | ALDH1A1 (0.44) | ALDH1A1L3MBTL1TMEM97HPGDHSD17B10 | |
| SCHEMBL5419125 | 0.88 | ALDH1A1 (0.44) | ALDH1A1L3MBTL1TMEM97HPGDHSD17B10 | |
| SCHEMBL2144069 | 0.88 | ALDH1A1 (0.44) | ALDH1A1L3MBTL1TMEM97HPGDHSD17B10 | |
| SCHEMBL6155390 | 0.85 | ALDH1A1 (0.44) | ALDH1A1L3MBTL1TMEM97HPGDHSD17B10 | |
| SCHEMBL6155401 | 0.85 | ALDH1A1 (0.44) | ALDH1A1L3MBTL1TMEM97HPGDHSD17B10 |
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-111499580-A | Substituted diaminocarboxamides and diaminocarbonitrile pyrimidines, compositions thereof, and methods of treatment therewith | 西格诺药品有限公司 | 2020-08-07 | — | — | CN | disclosed |
| CN-111471021-A | Substituted diaminocarboxamides and diaminocarbonitrile pyrimidines, compositions thereof, and methods of treatment therewith | 西格诺药品有限公司 | 2020-07-31 | — | — | CN | disclosed |