Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE2A | O00408 | 6/20 | 0.57 |
| ▸ | CES2 | O00748 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | AHR | P35869 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.36 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.36 |
| ▸ | DAO | P14920 | 1/20 | 0.36 |
| ▸ | MCL1 | Q07820 | 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 | |
|---|---|---|---|---|
| SCHEMBL11609759 | 0.89 | PDE2A (0.46) | PDE2ACES2TSHRALDH1A1MAPT | |
| SCHEMBL11599763 | 0.87 | PDE2A (0.57) | PDE2ACES2TSHRALDH1A1MAPT | |
| SCHEMBL11598716 | 0.87 | PDE2A (0.53) | PDE2ACES2TSHRALDH1A1MAPT | |
| SCHEMBL3789260 | 0.86 | PDE2A (0.56) | PDE2ACES2TSHRALDH1A1MAPT | |
| SCHEMBL11610443 | 0.83 | PDE2A (0.43) | PDE2ACES2TSHRALDH1A1MAPT | |
| SCHEMBL8220063 | 0.81 | PDE2A (0.60) | PDE2ACES2TSHRALDH1A1MAPT | |
| SCHEMBL11599290 | 0.78 | TSHR (0.58) | PDE2ACES2TSHRALDH1A1MAPT | |
| SCHEMBL11600948 | 0.78 | TSHR (0.56) | PDE2ACES2TSHRALDH1A1MAPT | |
| SCHEMBL21180443 | 0.78 | PDE2A (0.57) | PDE2ACES2TSHRALDH1A1MAPT | |
| SCHEMBL980201 | 0.77 | TSHR (0.61) | PDE2ATSHRALDH1A1MAPTAHR |
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 |
|---|---|---|---|---|---|---|---|
| US-4079089-A | CONTACTING A BIS/TRICHLOROMETHYL/-BENZENE WITH HYDROGEN FLUORIDE, HALOGEN TRANSFER CATALYST | BAYER AKTIENGESELLSCHAFT (DT) | 1978-03-14 | — | — | US | disclosed |