Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 1/20 | 0.46 |
| ▸ | TDO2 | P48775 | 1/20 | 0.46 |
| ▸ | MAOA | P21397 | 1/20 | 0.44 |
| ▸ | MBTD1 | Q05BQ5 | 1/20 | 0.43 |
| ▸ | L3MBTL3 | Q96JM7 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.40 |
| ▸ | MIF | P14174 | 1/20 | 0.40 |
| ▸ | HTR2A | P28223 | 1/20 | 0.40 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.40 |
| ▸ | HTR2B | P41595 | 1/20 | 0.40 |
| ▸ | GBA1 | P04062 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL29278100 | 1.00 | IDO1 (0.46) | IDO1TDO2MAOAMBTD1L3MBTL3 | |
| SCHEMBL2401036 | 1.00 | IDO1 (0.46) | IDO1TDO2MAOAMBTD1L3MBTL3 | |
| Hydrochloric Acid SCHEMBL30762179 | 0.98 | IDO1 (0.49) | IDO1TDO2MAOAMBTD1L3MBTL3 | |
| Hydrochloric Acid SCHEMBL17764461 | 0.98 | IDO1 (0.49) | IDO1TDO2MAOAMBTD1L3MBTL3 | |
| SCHEMBL11080503 | 0.88 | IDO1 (0.46) | IDO1TDO2MAOAMBTD1L3MBTL3 | |
| SCHEMBL5772657 | 0.87 | IDO1 (0.52) | IDO1TDO2MAOAALDH1A1MAPK1 | |
| SCHEMBL8061768 | 0.84 | ADRB1 (0.47) | ALDH1A1ADRB1MIFHTR2AADRA1A | |
| SCHEMBL14014456 | 0.83 | IDO1 (0.48) | IDO1TDO2MAOAMBTD1L3MBTL3 | |
| SCHEMBL842088 | 0.83 | IDO1 (0.48) | IDO1TDO2MAOAMBTD1L3MBTL3 | |
| SCHEMBL3689883 | 0.83 | IDO1 (0.48) | IDO1TDO2MAOAMBTD1L3MBTL3 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114728938-B | Tetrahydroisoquinoline spiro compounds as PRMT5 inhibitors | 南京再明医药有限公司 | 2024-05-24 | — | — | CN | disclosed |
| CN-117402081-A | Aryl substituted amine derivative, preparation method and application thereof | 南京医科大学 | 2024-01-16 | — | — | CN | disclosed |