Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | GLA | P06280 | 1/20 | 0.41 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.41 |
| ▸ | ATR | Q13535 | 4/20 | 0.40 |
| ▸ | CYP46A1 | Q9Y6A2 | 6/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL28232861 | 0.86 | MAPT (0.43) | MAPTKDM4EALDH1A1GAAGLA | |
| SCHEMBL16515417 | 0.84 | MAPT (0.41) | MAPTKDM4EALDH1A1GAAGLA | |
| SCHEMBL18269920 | 0.83 | MAPT (0.42) | MAPTKDM4EALDH1A1GAAGLA | |
| SCHEMBL15783909 | 0.82 | MAPT (0.52) | MAPTKDM4EALDH1A1GAAGLA | |
| SCHEMBL16515552 | 0.81 | MAPT (0.40) | MAPTKDM4EALDH1A1GAAGLA | |
| SCHEMBL16515786 | 0.81 | MAPT (0.40) | MAPTKDM4EALDH1A1GAAGLA | |
| SCHEMBL16515549 | 0.81 | MAPT (0.40) | MAPTKDM4EALDH1A1GAAGLA | |
| SCHEMBL15770491 | 0.80 | KDM4E (0.60) | MAPTKDM4EALDH1A1GAAGLA | |
| SCHEMBL31302417 | 0.79 | KDM4E (0.40) | MAPTKDM4EALDH1A1GAAGLA | |
| SCHEMBL31302348 | 0.79 | KDM4E (0.40) | MAPTKDM4EALDH1A1GAAGLA |
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-104903325-A | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | VERTEX PHARMA | 2015-09-09 | — | — | CN | disclosed |