Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | NOS3 | P29474 | 1/20 | 0.39 |
| ▸ | NOS2 | P35228 | 1/20 | 0.39 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.36 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.36 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.36 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.36 |
| ▸ | DDR1 | Q08345 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | SMARCA2 | P51531 | 1/20 | 0.35 |
| ▸ | SMARCA4 | P51532 | 1/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| Ethoxycarbonyl Group SCHEMBL28284394 | 0.80 | L3MBTL1 (0.52) | L3MBTL1ALDH1A1GAANOS3NOS2 | |
| SCHEMBL29624449 | 0.79 | NOS3 (0.57) | L3MBTL1ALDH1A1GAANOS3NOS2 | |
| SCHEMBL119912 | 0.79 | NOS3 (0.57) | L3MBTL1ALDH1A1GAANOS3NOS2 | |
| Ethoxycarbonyl Group SCHEMBL27884569 | 0.79 | UHRF1 (0.37) | ALDH1A1NOS3NOS2LMNASMARCA2 | |
| Ethoxycarbonyl Group SCHEMBL28284409 | 0.78 | POLB (0.45) | L3MBTL1ALDH1A1GAALMNAMAPT | |
| Ethoxycarbonyl Group SCHEMBL28802428 | 0.74 | RIPK2 (0.44) | L3MBTL1ALDH1A1GAADDR1MAPT | |
| SCHEMBL28051967 | 0.73 | NOS3 (0.43) | L3MBTL1ALDH1A1GAANOS3NOS2 | |
| 2-Chloropyridine SCHEMBL27562267 | 0.72 | TDP1 (0.55) | ALDH1A1GAALMNAMAPTTDP1 | |
| SCHEMBL24355439 | 0.71 | GAA (0.49) | L3MBTL1ALDH1A1GAANOS2AKR1C3 | |
| Ethoxycarbonyl Group SCHEMBL28020917 | 0.71 | DGAT1 (0.32) | — |
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-109476658-A | Substituted 5,6,7,8- tetrahydro [1,2,4] triazol [4,3-A] pyridine -3 (2H) -one and 2,5,6,7- tetrahydro -3H- pyrrolo- [2,1-c] [1,2,4] triazole -3- ketone and application thereof | 拜耳公司 | 2019-03-15 | — | — | CN | disclosed |