Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 4/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 3/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | HTR2A | P28223 | 1/20 | 0.34 |
| ▸ | HTR2C | P28335 | 1/20 | 0.34 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.34 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | KCNN4 | O15554 | 2/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL29184892 | 0.88 | CYP2C9 (0.44) | CYP2C9TSHRALDH1A1LMNA | |
| SCHEMBL11080255 | 0.81 | CYP2C19 (0.38) | CYP2C19CYP1A2CYP2C9TSHRATM | |
| SCHEMBL11085307 | 0.81 | TSHR (0.41) | CYP2C19CYP1A2CYP2C9TSHRATM | |
| SCHEMBL1456006 | 0.81 | ALDH1A1 (0.38) | CYP2C19CYP1A2CYP2C9TSHRATM | |
| SCHEMBL29184911 | 0.79 | TSHR (0.43) | CYP1A2TSHRSMN1; SMN2MEN1KMT2A | |
| SCHEMBL29184918 | 0.79 | TSHR (0.38) | CYP2C19CYP2C9TSHRALDH1A1SMN1; SMN2 | |
| SCHEMBL28240722 | 0.78 | ATM (0.40) | CYP2C19CYP1A2CYP2C9TSHRATM | |
| SCHEMBL11085392 | 0.78 | HTR2A (0.38) | CYP2C19CYP1A2CYP2C9TSHRHTR2A | |
| SCHEMBL2682423 | 0.76 | TSHR (0.39) | CYP2C19CYP1A2CYP2C9TSHRATM | |
| SCHEMBL29184926 | 0.75 | AOC3 (0.42) | ALDH1A1SMN1; SMN2HSD17B10LMNAMAPK1 |
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-117603436-A | Polymer, modified polyurethane elastomer and preparation method thereof | 北京大学 | 2024-02-27 | — | — | CN | disclosed |