Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.53 |
| ▸ | MAPT | P10636 | 3/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.53 |
| ▸ | NPC1 | O15118 | 1/20 | 0.53 |
| ▸ | RAB9A | P51151 | 1/20 | 0.53 |
| ▸ | IDO1 | P14902 | 9/20 | 0.46 |
| ▸ | HPGD | P15428 | 5/20 | 0.41 |
| ▸ | MEN1 | O00255 | 4/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.41 |
| ▸ | GAA | P10253 | 3/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | DHODH | Q02127 | 2/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | NTRK1 | P04629 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL30997272 | 0.80 | KDM4E (0.57) | KDM4EALDH1A1MAPTSMN1; SMN2NPC1 | |
| SCHEMBL30997233 | 0.75 | KDM4E (0.80) | KDM4EALDH1A1MAPTSMN1; SMN2NPC1 | |
| SCHEMBL30872171 | 0.73 | HCRTR1 (0.50) | — | |
| SCHEMBL31351495 | 0.72 | HCRTR1 (0.73) | — | |
| SCHEMBL3869652 | 0.70 | KDM4E (1.00) | KDM4EALDH1A1MAPTSMN1; SMN2NPC1 | |
| SCHEMBL2807005 | 0.69 | ALDH1A1 (0.56) | KDM4EALDH1A1MAPTSMN1; SMN2NPC1 | |
| SCHEMBL9518821 | 0.69 | ALDH1A1 (0.65) | KDM4EALDH1A1MAPTSMN1; SMN2NPC1 | |
| SCHEMBL9518758 | 0.69 | KDM4E (0.56) | KDM4EALDH1A1MAPTSMN1; SMN2NPC1 | |
| SCHEMBL19207121 | 0.68 | HCRTR1 (0.44) | KDM4EALDH1A1MAPTCYP3A4DHODH | |
| SCHEMBL3597471 | 0.67 | KDM4E (0.55) | KDM4EALDH1A1MAPTSMN1; SMN2NPC1 |
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-118556061-A | Disubstituted octahydropyrrolo [3,4-c ] pyrrole methyl ketone derivative and application thereof | 江苏恩华药业股份有限公司 | 2024-08-27 | — | — | CN | disclosed |