Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 5/20 | 0.50 |
| ▸ | BRD4 | O60885 | 1/20 | 0.46 |
| ▸ | KDM1A | O60341 | 5/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.43 |
| ▸ | MAOB | P27338 | 2/20 | 0.43 |
| ▸ | RCOR1 | Q9UKL0 | 2/20 | 0.43 |
| ▸ | KDM1B | Q8NB78 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.42 |
| ▸ | ESR1 | P03372 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.40 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL14804315 | 0.92 | KDM1A (0.48) | ESR2BRD4KDM1AKCNH2MAOB | |
| SCHEMBL265495 | 0.92 | KDM1A (0.48) | ESR2BRD4KDM1AKCNH2MAOB | |
| Methylamine SCHEMBL1141356 | 0.88 | KDM1A (0.50) | ESR2BRD4KDM1AKCNH2MAOB | |
| Hydrochloric Acid SCHEMBL5060582 | 0.87 | KDM1A (0.48) | ESR2BRD4KDM1AKCNH2MAOB | |
| SCHEMBL16669646 | 0.86 | ESR2 (0.65) | ESR2BRD4KDM1AKCNH2MAOB | |
| Dimethylamine SCHEMBL1141271 | 0.86 | KDM1A (0.43) | ESR2BRD4KDM1AKCNH2MAOB | |
| SCHEMBL12303027 | 0.86 | ESR2 (0.63) | ESR2BRD4KDM1AKCNH2MAOB | |
| SCHEMBL7151959 | 0.86 | ESR2 (0.65) | ESR2BRD4KDM1AKCNH2MAOB | |
| SCHEMBL7151961 | 0.86 | ESR2 (0.65) | ESR2BRD4KDM1AKCNH2MAOB | |
| SCHEMBL16578077 | 0.86 | ESR2 (0.63) | ESR2BRD4KDM1AKCNH2MAOB |
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-1839114-A | Cathepsin cysteine protease inhibitors | MERCK FROSST CANADA INC (CA) | 2006-09-27 | — | — | CN | disclosed |