Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | CTSK | P43235 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9734722 | 0.82 | HPGD (0.43) | ALDH1A1CYP2C19 | |
| SCHEMBL16894869 | 0.72 | CYP1A2 (0.38) | ALDH1A1CYP2C19 | |
| SCHEMBL27172650 | 0.72 | CYP1A2 (0.38) | ALDH1A1CYP2C19 | |
| SCHEMBL15152229 | 0.72 | CYP1A2 (0.38) | ALDH1A1CYP2C19 | |
| SCHEMBL9734464 | 0.68 | — | — | |
| SCHEMBL9733517 | 0.67 | MMP2 (0.35) | — | |
| SCHEMBL30009666 | 0.64 | CHRNB2 (0.46) | NPC1CTSKALDH1A1KDM4E | |
| SCHEMBL30009879 | 0.63 | DPP7 (0.39) | NPC1CTSKALDH1A1KDM4E | |
| SCHEMBL21650205 | 0.63 | HPGD (0.48) | NPC1CTSKALDH1A1 | |
| SCHEMBL31706656 | 0.62 | CTSK (0.40) | NPC1CTSKALDH1A1KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| US-5114945-A | Spiropiperidine derivatives | GLAXO GROUP LIMITED (GB) | 1992-05-19 | — | — | US | disclosed |
| EP-0330461-A2 | Piperidine derivatives | GLAXO GROUP LIMITED (GB) | 1989-08-30 | — | — | EP | disclosed |