Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGDR2 | Q9Y5Y4 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.40 |
| ▸ | HPGD | P15428 | 4/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | ERN1 | O75460 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | AR | P10275 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.32 |
| ▸ | FDPS | P14324 | 1/20 | 0.32 |
| ▸ | PRKDC | P78527 | 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 | |
|---|---|---|---|---|
| SCHEMBL28657454 | 0.83 | CYSLTR2 (0.40) | PTGDR2ALDH1A1HPGDHTTSMN1; SMN2 | |
| SCHEMBL3224950 | 0.80 | HPGD (0.55) | PTGDR2ALDH1A1HPGDHTTSMN1; SMN2 | |
| SCHEMBL2771758 | 0.79 | PTGDR2 (0.48) | PTGDR2ALDH1A1HPGDHTTSMN1; SMN2 | |
| SCHEMBL20335399 | 0.79 | PTGDR2 (0.50) | PTGDR2ALDH1A1HPGDHTTSMN1; SMN2 | |
| SCHEMBL30617434 | 0.78 | PTGDR2 (0.44) | PTGDR2ALDH1A1HPGDHTTSMN1; SMN2 | |
| SCHEMBL20540458 | 0.78 | PTGDR2 (0.44) | PTGDR2ALDH1A1HPGDHTTSMN1; SMN2 | |
| SCHEMBL4645847 | 0.78 | PTGDR2 (0.47) | PTGDR2ALDH1A1HPGDHTTSMN1; SMN2 | |
| SCHEMBL28931504 | 0.77 | PTGDR2 (0.49) | PTGDR2ALDH1A1HPGDHTTSMN1; SMN2 | |
| SCHEMBL20505239 | 0.77 | LMNA (0.59) | PTGDR2ALDH1A1HPGDHTTSMN1; SMN2 | |
| SCHEMBL23364744 | 0.77 | PTGDR2 (0.46) | PTGDR2ALDH1A1HPGDHTTSMN1; SMN2 |
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-113582988-A | Pyridinocyclic compound and medical application thereof | 正大天晴药业集团股份有限公司 | 2021-11-02 | — | — | CN | disclosed |