Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.45 |
| ▸ | RAB9A | P51151 | 5/20 | 0.44 |
| ▸ | MAPT | P10636 | 3/20 | 0.44 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.43 |
| ▸ | NPC1 | O15118 | 4/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.43 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.43 |
| ▸ | RELA | Q04206 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL30967351 | 0.83 | MAPT (0.39) | CYP1A2CYP2C9CYP2C19KMT2AMEN1 | |
| SCHEMBL18357777 | 0.77 | SMN1; SMN2 (0.57) | CYP1A2CYP2C9CYP2C19KMT2AMEN1 | |
| SCHEMBL2866056 | 0.71 | SMN1; SMN2 (0.56) | CYP1A2CYP2C9CYP2C19KMT2AMEN1 | |
| SCHEMBL2869370 | 0.71 | SMN1; SMN2 (0.55) | CYP1A2CYP2C9CYP2C19KMT2AMEN1 | |
| SCHEMBL9518825 | 0.70 | MAPK1 (0.70) | CYP1A2CYP2C9CYP2C19KMT2AMEN1 | |
| SCHEMBL9516836 | 0.68 | MAPK1 (0.67) | CYP1A2CYP2C9CYP2C19KMT2AMEN1 | |
| SCHEMBL15631933 | 0.68 | SMN1; SMN2 (0.65) | CYP1A2CYP2C9CYP2C19KMT2AMEN1 | |
| SCHEMBL30902227 | 0.68 | SMN1; SMN2 (0.49) | KMT2AMEN1SMN1; SMN2RAB9AMAPT | |
| SCHEMBL2420946 | 0.68 | KDM4E (0.54) | SMN1; SMN2KDM4EHSD17B10HTTNPSR1 | |
| SCHEMBL7709349 | 0.67 | GAA (0.43) | KMT2AMEN1SMN1; SMN2RAB9AMAPT |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118459452-B | PolyADP ribose hydrolase inhibitor and application thereof | 苏州国匡医药科技有限公司 | 2024-10-25 | — | — | CN | disclosed |
| CN-118459452-A | PolyADP ribose hydrolase inhibitor and application thereof | 苏州国匡医药科技有限公司 | 2024-08-09 | — | — | CN | disclosed |