Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACLY | P53396 | 1/20 | 0.35 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.35 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | NR1H2 | P55055 | 4/20 | 0.34 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.34 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.34 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.34 |
| ▸ | PPARG | P37231 | 1/20 | 0.34 |
| ▸ | PPARA | Q07869 | 1/20 | 0.34 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | CASP1 | P29466 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 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 | |
|---|---|---|---|---|
| SCHEMBL4387957 | 0.89 | NR1H2 (0.40) | ACLYNR1H2PPARGPPARALMNA | |
| SCHEMBL31666014 | 0.86 | GABRG2 (0.41) | ACLYAKR1C3AKR1C2RAB9AGABRG2 | |
| SCHEMBL21731846 | 0.86 | GABRG2 (0.41) | ACLYAKR1C3AKR1C2RAB9AGABRG2 | |
| SCHEMBL18990363 | 0.79 | NR1H2 (0.40) | ACLYNR1H2PPARGPPARALMNA | |
| SCHEMBL29631993 | 0.79 | NR1H2 (0.41) | ACLYNR1H2PPARGPPARALMNA | |
| SCHEMBL19013549 | 0.79 | NR1H2 (0.41) | ACLYNR1H2PPARGPPARALMNA | |
| SCHEMBL31095612 | 0.77 | NR1H2 (0.43) | NR1H2OXER1 | |
| SCHEMBL31370553 | 0.77 | GABRG2 (0.42) | ACLYNR1H2GABRG2GABRB3GABRA5 | |
| SCHEMBL28542079 | 0.76 | SIRT1 (0.40) | RAB9AGABRG2GABRB3GABRA5GABRA1 | |
| SCHEMBL5096665 | 0.75 | L3MBTL1 (0.44) | RAB9ANR1H2ALDH1A1KDM4ELMNA |
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-112654354-A | 1,3,4, 9-tetrahydro-2H-pyrido [3,4-b ] indole derivative compound and application thereof | 菲尼克思药业股份有限公司 | 2021-04-13 | — | — | CN | disclosed |