Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 4/20 | 0.50 |
| ▸ | RAB9A | P51151 | 4/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.48 |
| ▸ | MEN1 | O00255 | 3/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | CASP1 | P29466 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | PARP1 | P09874 | 1/20 | 0.37 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.34 |
| ▸ | CHRNG | P07510 | 1/20 | 0.34 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.34 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL11480601 | 1.00 | NPC1 (0.50) | NPC1RAB9AHPGDSMN1; SMN2ALDH1A1 | |
| SCHEMBL11485616 | 0.83 | RAB9A (0.49) | NPC1RAB9AHPGDSMN1; SMN2ALDH1A1 | |
| SCHEMBL11485620 | 0.83 | RAB9A (0.49) | NPC1RAB9AHPGDSMN1; SMN2ALDH1A1 | |
| SCHEMBL11472132 | 0.83 | NPC1 (0.65) | NPC1RAB9AHPGDSMN1; SMN2ALDH1A1 | |
| SCHEMBL11472131 | 0.83 | NPC1 (0.65) | NPC1RAB9AHPGDSMN1; SMN2ALDH1A1 | |
| SCHEMBL7782342 | 0.81 | NPC1 (0.47) | NPC1RAB9AHPGDSMN1; SMN2ALDH1A1 | |
| SCHEMBL7782268 | 0.81 | NPC1 (0.62) | NPC1RAB9AHPGDSMN1; SMN2ALDH1A1 | |
| SCHEMBL11378524 | 0.77 | MAPK1 (0.48) | NPC1RAB9AHPGDSMN1; SMN2ALDH1A1 | |
| SCHEMBL11378522 | 0.77 | MAPK1 (0.48) | NPC1RAB9AHPGDSMN1; SMN2ALDH1A1 | |
| SCHEMBL11480294 | 0.75 | ALDH1A1 (0.53) | NPC1RAB9AHPGDSMN1; SMN2ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-4221788-A | 2-(Optionally-substituted)benzylperhydroazepines for analgesia and lowering blood pressure | BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) | 1980-09-09 | — | — | US | disclosed |