Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 1/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.55 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.47 |
| ▸ | KDM1A | O60341 | 1/20 | 0.44 |
| ▸ | MGLL | Q99685 | 2/20 | 0.44 |
| ▸ | SLC18A3 | Q16572 | 2/20 | 0.40 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.40 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.39 |
| ▸ | GABRP | O00591 | 1/20 | 0.38 |
| ▸ | GABRD | O14764 | 1/20 | 0.38 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.38 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.38 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.38 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.38 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.38 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.38 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL1135130 | 0.89 | MEN1 (0.67) | MEN1CYP2D6KMT2AHSD11B1MGLL | |
| Hydrochloric Acid SCHEMBL11518027 | 0.88 | MEN1 (0.70) | MEN1CYP2D6KMT2AHSD11B1MGLL | |
| Bromide SCHEMBL10966041 | 0.88 | MEN1 (0.65) | MEN1CYP2D6KMT2AHSD11B1MGLL | |
| Trifluoroacetic Acid SCHEMBL252584 | 0.87 | MEN1 (0.56) | MEN1CYP2D6KMT2AHSD11B1 | |
| Trifluoroacetic Acid SCHEMBL30548828 | 0.85 | HSD11B1 (0.43) | MEN1CYP2D6KMT2AHSD11B1KDM1A | |
| SCHEMBL4200838 | 0.80 | MEN1 (0.54) | MEN1CYP2D6KMT2AHSD11B1MGLL | |
| SCHEMBL4240412 | 0.78 | MEN1 (0.61) | MEN1CYP2D6KMT2AHSD11B1MGLL | |
| Hydrochloric Acid SCHEMBL26187206 | 0.78 | MEN1 (0.57) | MEN1CYP2D6KMT2AHSD11B1MGLL | |
| Tert-Butyl Formate SCHEMBL28958044 | 0.78 | KMT2A (0.54) | MEN1CYP2D6KMT2AHSD11B1MGLL | |
| SCHEMBL13944266 | 0.77 | MEN1 (0.69) | MEN1CYP2D6KMT2AHSD11B1HRH3 |
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-109661392-A | For treating the mitochondrial inhibitors of proliferative disorder | 巴斯利尔药物国际股份公司 | 2019-04-19 | — | — | CN | disclosed |