Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.41 |
| ▸ | NPC1 | O15118 | 3/20 | 0.41 |
| ▸ | RAB9A | P51151 | 3/20 | 0.41 |
| ▸ | TP53 | P04637 | 3/20 | 0.41 |
| ▸ | AHR | P35869 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.40 |
| ▸ | GAA | P10253 | 3/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | HTT | P42858 | 2/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL5725264 | 1.00 | SMN1; SMN2 (0.41) | SMN1; SMN2NPC1RAB9ATP53AHR | |
| SCHEMBL5725375 | 0.76 | RAB9A (0.41) | SMN1; SMN2NPC1RAB9ATP53AHR | |
| SCHEMBL1412504 | 0.66 | NAMPT (0.56) | SMN1; SMN2NPC1RAB9ATP53ALDH1A1 | |
| SCHEMBL14638491 | 0.66 | NAMPT (0.56) | SMN1; SMN2NPC1RAB9ATP53ALDH1A1 | |
| SCHEMBL4898206 | 0.66 | NAMPT (0.56) | SMN1; SMN2NPC1RAB9ATP53ALDH1A1 | |
| SCHEMBL126610 | 0.66 | NAMPT (0.56) | SMN1; SMN2NPC1RAB9ATP53ALDH1A1 | |
| SCHEMBL11221442 | 0.66 | POLB (0.45) | SMN1; SMN2NPC1RAB9ATP53ALDH1A1 | |
| SCHEMBL5725988 | 0.64 | ENO1 (0.31) | — | |
| SCHEMBL18447374 | 0.64 | SMN1; SMN2 (0.50) | SMN1; SMN2NPC1RAB9ATP53ALDH1A1 | |
| SCHEMBL31234028 | 0.62 | SMN1; SMN2 (0.67) | SMN1; SMN2NPC1RAB9ATP53ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0812318-B1 | 4-AMINOTETRAHYDROBENZISOXAZOLE OR -ISOTHIAZOLE COMPOUNDS | LUNDBECK & CO AS H (DK) | 2006-02-08 | — | — | EP | disclosed |