Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.51 |
| ▸ | GAA | P10253 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | TP53 | P04637 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | ACKR3 | P25106 | 1/20 | 0.39 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL2555270 | 1.00 | CYP2D6 (0.51) | CYP2D6GAAALDH1A1ALOX12HPGD | |
| SCHEMBL22840642 | 0.87 | CYP2D6 (0.43) | CYP2D6MEN1KMT2APOLBSMN1; SMN2 | |
| SCHEMBL22840696 | 0.87 | KDM4E (0.46) | GAAALDH1A1ALOX12KDM4EHSD17B10 | |
| SCHEMBL2570250 | 0.85 | HPGD (0.43) | CYP2D6GAAALDH1A1ALOX12HPGD | |
| SCHEMBL2573383 | 0.84 | MEN1 (0.43) | GAAALDH1A1ALOX12KDM4EHSD17B10 | |
| SCHEMBL2568190 | 0.77 | ERN1 (0.56) | ALDH1A1HPGDKDM4EHSD17B10MEN1 | |
| SCHEMBL14930229 | 0.76 | KDM4E (0.67) | GAAALDH1A1ALOX12HPGDKDM4E | |
| SCHEMBL26424849 | 0.75 | ERN1 (0.54) | ALDH1A1TP53LMNAHTTSMN1; SMN2 | |
| SCHEMBL2565847 | 0.74 | HTR2C (0.55) | ALDH1A1HPGDKDM4EHSD17B10POLB | |
| SCHEMBL30406177 | 0.74 | KDM4E (0.53) | GAAALDH1A1HPGDKDM4EMEN1 |
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-110172051-B | IRE-1 alpha inhibitors | 复星弘创(苏州)医药科技有限公司 | 2023-03-07 | — | — | CN | disclosed |