Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGDR2 | Q9Y5Y4 | 13/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | HTT | P42858 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.42 |
| ▸ | MITF | O75030 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL29488641 | 0.82 | PTGDR2 (0.36) | PTGDR2MAPTMEN1KMT2ACYP1A2 | |
| SCHEMBL29488643 | 0.80 | PTGS2 (0.38) | PTGDR2KDM4EALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL29488653 | 0.75 | THRA (0.56) | PTGDR2CYP2C8CYP2C9 | |
| SCHEMBL29488647 | 0.74 | THRA (0.32) | PTGDR2 | |
| SCHEMBL29488649 | 0.74 | MAPT (0.40) | PTGDR2HTTMAPTCYP1A2CYP2D6 | |
| SCHEMBL29488651 | 0.71 | DPP4 (0.37) | — | |
| SCHEMBL1757541 | 0.69 | PTGDR2 (1.00) | PTGDR2CYP1A2CYP3A4CYP2C8CYP2D6 | |
| SCHEMBL29488652 | 0.69 | DPP4 (0.36) | SMN1; SMN2CYP3A4CYP2D6 | |
| SCHEMBL29488655 | 0.69 | GAA (0.43) | KDM4EALDH1A1HTTMAPTSMN1; SMN2 | |
| SCHEMBL6378814 | 0.68 | ALDH1A1 (0.55) | PTGDR2KDM4EALDH1A1HTTMAPT |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022068915-A1 | 6-OXO-1,6-DIHYDROPYRIDAZIN DERIVATIVE, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF IN MEDICINE | 江苏恒瑞医药股份有限公司 | 2022-04-07 | — | — | WO | disclosed |