Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR3 | P49019 | 4/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 4/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | PPP1CA | P62136 | 1/20 | 0.35 |
| ▸ | IDH1 | O75874 | 2/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | CDC25B | P30305 | 1/20 | 0.34 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | GLA | P06280 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL28644617 | 1.00 | HCAR3 (0.41) | HCAR3PKMMAPTALDH1A1MAPK1 | |
| SCHEMBL28646659 | 0.91 | HCAR3 (0.39) | HCAR3PKMMAPTALDH1A1MAPK1 | |
| SCHEMBL28646658 | 0.91 | HCAR3 (0.39) | HCAR3PKMMAPTALDH1A1MAPK1 | |
| SCHEMBL17009673 | 0.89 | PKM (0.36) | HCAR3PKMMAPTALDH1A1MAPK1 | |
| SCHEMBL17009675 | 0.89 | PKM (0.36) | HCAR3PKMMAPTALDH1A1MAPK1 | |
| SCHEMBL17009676 | 0.89 | PKM (0.36) | HCAR3PKMMAPTALDH1A1MAPK1 | |
| SCHEMBL17009784 | 0.85 | IDH1 (0.40) | HCAR3PKMMAPTALDH1A1MAPK1 | |
| SCHEMBL17009781 | 0.85 | IDH1 (0.40) | HCAR3PKMMAPTALDH1A1MAPK1 | |
| SCHEMBL17009787 | 0.85 | IDH1 (0.40) | HCAR3PKMMAPTALDH1A1MAPK1 | |
| SCHEMBL17009788 | 0.85 | IDH1 (0.40) | HCAR3PKMMAPTALDH1A1MAPK1 |
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-107949557-B | 2-aryl-and 2-aralkyl-benzimidazoles as mIDH1 inhibitors | 德国癌症研究公共权益基金会 | 2021-11-02 | — | — | CN | disclosed |
| 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 |