Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB1 | P05556 | 1/20 | 0.40 |
| ▸ | ITGA5 | P08648 | 1/20 | 0.40 |
| ▸ | ACHE | P22303 | 1/20 | 0.40 |
| ▸ | ESPL1 | Q14674 | 1/20 | 0.39 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.39 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 4/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 3/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | 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 | |
|---|---|---|---|---|
| SCHEMBL28405700 | 0.89 | MEN1 (0.40) | ESPL1ATMTDP1MAPTSMN1; SMN2 | |
| SCHEMBL28405701 | 0.88 | TSHR (0.41) | ESPL1ATMTDP1MAPTSMN1; SMN2 | |
| SCHEMBL28030256 | 0.87 | CYP4F2 (0.44) | ITGB1ITGA5ESPL1CYP4F2CYP4A11 | |
| SCHEMBL29739365 | 0.85 | MAPT (0.39) | ESPL1MAPTSMN1; SMN2ALDH1A1GAA | |
| SCHEMBL1098698 | 0.85 | MAPT (0.39) | ESPL1MAPTSMN1; SMN2ALDH1A1GAA | |
| SCHEMBL17375034 | 0.84 | TTR (0.41) | ITGB1ITGA5ESPL1CYP4F2CYP4A11 | |
| SCHEMBL10719888 | 0.84 | SMN1; SMN2 (0.42) | ITGB1ITGA5ESPL1CYP4F2CYP4A11 | |
| SCHEMBL28136286 | 0.84 | ACHE (0.43) | ITGB1ITGA5ACHEESPL1ATM | |
| SCHEMBL17466056 | 0.83 | LMNA (0.40) | ITGB1ITGA5ESPL1CYP4F2CYP4A11 | |
| SCHEMBL29739457 | 0.80 | ALDH1A1 (0.49) | ESPL1ATMTDP1MAPTALDH1A1 |
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 4 patents. 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 |
| CN-107810176-B | N-menthyl benzimidazoles as mIDH1 inhibitors | 德国癌症研究公共权益基金会 | 2020-10-16 | — | — | CN | disclosed |
| CN-106573897-B | Benzimidazol-2-amines as mIDH1 inhibitors | 拜耳制药股份公司 | 2019-09-24 | — | — | CN | disclosed |
| CN-106573897-A | Benzimidazol-2-amines as MiDH1 inhibitors | 拜耳制药股份公司 | 2017-04-19 | — | — | CN | disclosed |