Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | HCAR3 | P49019 | 3/20 | 0.40 |
| ▸ | IDH1 | O75874 | 9/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.38 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL17010008 | 0.92 | MAPT (0.39) | NPSR1L3MBTL1IDH1KDM4EMAPT | |
| SCHEMBL17010002 | 0.92 | MAPT (0.39) | NPSR1L3MBTL1IDH1KDM4EMAPT | |
| SCHEMBL17010006 | 0.92 | MAPT (0.39) | NPSR1L3MBTL1IDH1KDM4EMAPT | |
| SCHEMBL17009993 | 0.87 | POLB (0.38) | NPSR1L3MBTL1IDH1KDM4EALDH1A1 | |
| SCHEMBL17009995 | 0.87 | POLB (0.38) | NPSR1L3MBTL1IDH1KDM4EALDH1A1 | |
| SCHEMBL17009992 | 0.87 | POLB (0.38) | NPSR1L3MBTL1IDH1KDM4EALDH1A1 | |
| SCHEMBL17009714 | 0.86 | IDH1 (0.41) | NPSR1L3MBTL1HCAR3IDH1KDM4E | |
| SCHEMBL17009719 | 0.86 | IDH1 (0.41) | NPSR1L3MBTL1HCAR3IDH1KDM4E | |
| SCHEMBL17009717 | 0.86 | IDH1 (0.41) | NPSR1L3MBTL1HCAR3IDH1KDM4E | |
| SCHEMBL17009720 | 0.86 | IDH1 (0.41) | NPSR1L3MBTL1HCAR3IDH1KDM4E |
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-108026052-B | 5-hydroxyalkyl benzimidazoles as mIDH1 inhibitors | 德国癌症研究公共权益基金会 | 2021-10-08 | — | — | CN | disclosed |