Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CALM1 | P0DP23 | 2/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.32 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.32 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.32 |
| ▸ | CYP11B1 | P15538 | 4/20 | 0.32 |
| ▸ | CYP11B2 | P19099 | 4/20 | 0.32 |
| ▸ | DHFR | P00374 | 1/20 | 0.32 |
| ▸ | IDO1 | P14902 | 2/20 | 0.31 |
| ▸ | AGXT | P21549 | 2/20 | 0.31 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.31 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.30 |
| ▸ | APLNR | P35414 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL22042677 | 0.77 | SLC22A12 (0.38) | CYP11B1CYP11B2DHFRIDO1AGXT | |
| SCHEMBL5882318 | 0.68 | ALDH1A1 (0.41) | CALM1IDO1AGXT | |
| SCHEMBL3012099 | 0.67 | CYP3A4 (0.50) | IDO1 | |
| SCHEMBL3426875 | 0.67 | AGXT (0.32) | IDO1AGXT | |
| SCHEMBL133816 | 0.67 | MAOB (0.39) | IDO1AGXT | |
| SCHEMBL15778630 | 0.67 | IDO1 (0.60) | IDO1AGXTTAAR1 | |
| SCHEMBL8000219 | 0.66 | SMN1; SMN2 (0.39) | — | |
| SCHEMBL5196530 | 0.66 | MAPK1 (0.42) | HDAC6CYP11B1CYP11B2DHFR | |
| SCHEMBL22340028 | 0.66 | CYP19A1 (0.39) | CALM1DHFRIDO1AGXT | |
| SCHEMBL4496052 | 0.65 | PREP (0.48) | IDO1AGXT |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020116662-A1 | CYCLOALKANE-1,3-DIAMINE DERIVATIVE | 第一三共株式会社 | 2020-06-11 | — | — | WO | disclosed |