Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | SKP2 | Q13309 | 1/20 | 0.39 |
| ▸ | TLR8 | Q9NR97 | 2/20 | 0.37 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | NOS3 | P29474 | 2/20 | 0.36 |
| ▸ | NOS1 | P29475 | 2/20 | 0.36 |
| ▸ | NOS2 | P35228 | 2/20 | 0.36 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.34 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL22864098 | 0.87 | HSD11B1 (0.41) | SMN1; SMN2TLR8HSD11B1EPHX2HPGD | |
| SCHEMBL787641 | 0.82 | NOS1 (0.37) | SMN1; SMN2TLR8NOS3NOS1NOS2 | |
| SCHEMBL11150461 | 0.82 | NOS3 (0.39) | SMN1; SMN2NOS3NOS1NOS2ALDH1A1 | |
| SCHEMBL4742939 | 0.81 | SKP2 (0.48) | SKP2TLR8CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL19303142 | 0.81 | HSD11B1 (0.41) | SMN1; SMN2HSD11B1EPHX2CYP3A4TAAR1 | |
| SCHEMBL28793952 | 0.79 | SKP2 (0.42) | SMN1; SMN2SKP2TLR8HSD11B1NOS2 | |
| SCHEMBL10701891 | 0.79 | TAAR1 (0.36) | SMN1; SMN2NOS3NOS1NOS2ALDH1A1 | |
| Selenious Acid SCHEMBL28233133 | 0.78 | EPHX2 (0.40) | SMN1; SMN2HSD11B1EPHX2KDM4EALDH1A1 | |
| SCHEMBL11465695 | 0.77 | SKP2 (0.42) | SKP2TLR8CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL3281652 | 0.76 | CA2 (0.41) | SMN1; SMN2EPHX2 |
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-107635993-A | SUBSTITUTED TRICYCLIC HETEROCYCLIC COMPOUNDS | 百时美施贵宝公司 | 2018-01-26 | — | — | CN | disclosed |