Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 5/20 | 0.74 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.74 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.65 |
| ▸ | CES2 | O00748 | 1/20 | 0.64 |
| ▸ | CES1 | P23141 | 1/20 | 0.64 |
| ▸ | TP53 | P04637 | 1/20 | 0.62 |
| ▸ | MAPT | P10636 | 5/20 | 0.60 |
| ▸ | TSHR | P16473 | 2/20 | 0.60 |
| ▸ | POLB | P06746 | 2/20 | 0.60 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.60 |
| ▸ | RAB9A | P51151 | 3/20 | 0.60 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.60 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.60 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.60 |
| ▸ | NPC1 | O15118 | 1/20 | 0.58 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.58 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.56 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.56 |
| ▸ | SETD7 | Q8WTS6 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL31103641 | 0.98 | MEN1 (0.76) | MEN1KMT2AALDH1A1CES2CES1 | |
| SCHEMBL1572442 | 0.98 | MEN1 (0.76) | MEN1KMT2AALDH1A1CES2CES1 | |
| Ammonia Solution, Strong SCHEMBL27704150 | 0.97 | MEN1 (0.74) | MEN1KMT2AALDH1A1CES2CES1 | |
| SCHEMBL27858189 | 0.97 | MEN1 (0.74) | MEN1KMT2AALDH1A1CES2CES1 | |
| Methane SCHEMBL28043489 | 0.97 | MEN1 (0.74) | MEN1KMT2AALDH1A1CES2CES1 | |
| Methyl Benzoate SCHEMBL29102092 | 0.94 | MEN1 (0.71) | MEN1KMT2AALDH1A1CES2CES1 | |
| Acetonitrile SCHEMBL28101350 | 0.93 | MEN1 (0.66) | MEN1KMT2AALDH1A1CES2CES1 | |
| SCHEMBL4962964 | 0.92 | TP53 (0.76) | MEN1KMT2AALDH1A1CES2CES1 | |
| SCHEMBL27918616 | 0.91 | MEN1 (0.67) | MEN1KMT2AALDH1A1CES2CES1 | |
| SCHEMBL29441715 | 0.89 | MEN1 (0.65) | MEN1KMT2AALDH1A1CES2CES1 |
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-105980365-B | Benzimidazol-2-amines as mIDH1 inhibitors | 拜耳医药股份公司 | 2019-06-21 | — | — | CN | disclosed |