Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 1/20 | 0.46 |
| ▸ | PARP1 | P09874 | 1/20 | 0.45 |
| ▸ | KIF11 | P52732 | 1/20 | 0.43 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.41 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.41 |
| ▸ | MGLL | Q99685 | 1/20 | 0.41 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.40 |
| ▸ | HTR3B | O95264 | 1/20 | 0.40 |
| ▸ | HTR3A | P46098 | 1/20 | 0.40 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.40 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.40 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.40 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.39 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 2/20 | 0.39 |
| ▸ | KDM1A | O60341 | 1/20 | 0.39 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL31137909 | 0.82 | CYP11B2 (0.46) | IDO1CYP11B1CYP11B2MAPK1KDM1A | |
| SCHEMBL14457437 | 0.79 | MEN1 (0.55) | IDO1PARP1MGLLNPC1RAB9A | |
| SCHEMBL2534775 | 0.78 | NPSR1 (0.46) | CYP11B2MAPK1KMT2AALDH1A1 | |
| SCHEMBL13876030 | 0.77 | MGLL (0.48) | IDO1PARP1KIF11CYP11B1CYP11B2 | |
| SCHEMBL31011141 | 0.76 | CES2 (0.56) | HTR3EHTR3BHTR3AHTR3DHTR3C | |
| SCHEMBL29463546 | 0.76 | CES2 (0.56) | HTR3EHTR3BHTR3AHTR3DHTR3C | |
| SCHEMBL642822 | 0.76 | CES2 (0.56) | HTR3EHTR3BHTR3AHTR3DHTR3C | |
| SCHEMBL642821 | 0.76 | CES2 (0.56) | HTR3EHTR3BHTR3AHTR3DHTR3C | |
| SCHEMBL31137905 | 0.76 | CYP11B1 (0.52) | CYP11B1CYP11B2NPC1RAB9A | |
| SCHEMBL12439744 | 0.75 | KMO (0.45) | PARP1KIF11HTR3EHTR3BHTR3A |
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-115304591-B | Bridged ring steroid synthetase inhibitor and preparation method and application thereof | 广州中医药大学(广州中医药研究院) | 2024-10-01 | — | — | CN | disclosed |