Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B2 | P19099 | 1/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.39 |
| ▸ | HPGD | P15428 | 4/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.39 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.36 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 3/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL3947001 | 0.98 | CYP11B2 (0.56) | CYP11B2SMN1; SMN2KDM4EALDH1A1HPGD | |
| SCHEMBL30406342 | 0.94 | CYP11B2 (0.51) | CYP11B2SMN1; SMN2KDM4EALDH1A1HPGD | |
| SCHEMBL21036162 | 0.72 | CYP11B2 (0.42) | CYP11B2SIGMAR1NPC1RAB9A | |
| SCHEMBL25771764 | 0.72 | CYP11B2 (0.42) | CYP11B2SIGMAR1NPC1RAB9A | |
| SCHEMBL30183105 | 0.72 | PNMT (0.46) | CYP11B2 | |
| SCHEMBL14250618 | 0.72 | RIPK1 (0.34) | CYP11B2 | |
| SCHEMBL25281145 | 0.72 | PNMT (0.46) | CYP11B2 | |
| SCHEMBL1462378 | 0.71 | CYP11B2 (0.41) | CYP11B2SMN1; SMN2SIGMAR1 | |
| Hydrochloric Acid SCHEMBL25281366 | 0.71 | PNMT (0.45) | CYP11B2 | |
| Hydrochloric Acid SCHEMBL31186539 | 0.71 | PNMT (0.45) | CYP11B2 |
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-2021215765-A1 | 3-AZABICYCLOALKYL DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING SAME | 주식회사 엘지화학 (KR) | 2021-10-28 | — | — | WO | disclosed |