Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | KCNN4 | O15554 | 3/20 | 0.39 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.36 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.35 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL1906385 | 0.74 | ADORA1 (0.42) | ALDH1A1KCNN4NOTUMADORA1ADORA3 | |
| SCHEMBL28797994 | 0.70 | ADORA1 (0.39) | ALDH1A1SMN1; SMN2NPC1LMNAKCNN4 | |
| SCHEMBL1806117 | 0.68 | NOTUM (0.46) | ALDH1A1SMN1; SMN2LMNAKCNN4NOTUM | |
| SCHEMBL1806825 | 0.67 | ALDH1A1 (0.39) | ALDH1A1SMN1; SMN2NPC1LMNAKCNN4 | |
| SCHEMBL1807795 | 0.67 | NOTUM (0.44) | ALDH1A1SMN1; SMN2LMNANOTUMADORA1 | |
| SCHEMBL3626705 | 0.66 | NOTUM (0.37) | SMN1; SMN2KCNN4NOTUMADORA1ADORA3 | |
| SCHEMBL29514421 | 0.62 | PKM (0.44) | ALDH1A1SMN1; SMN2NPC1NOTUMADORA3 | |
| SCHEMBL22748471 | 0.62 | PKM (0.44) | ALDH1A1SMN1; SMN2NPC1NOTUMADORA3 | |
| SCHEMBL2902914 | 0.62 | NOTUM (0.41) | ALDH1A1NOTUMADORA1ADORA3RAB9A | |
| SCHEMBL2820799 | 0.60 | NOTUM (0.44) | ALDH1A1KCNN4NOTUMADORA1ADORA3 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2501704-A1 | SPIROPIPERIDINE COMPOUNDS AS ORL-1 RECEPTOR ANTAGONISTS | Eli Lilly and Company (US) | 2012-09-26 | — | — | EP | disclosed |
| CN-102666550-A | Spiropiperidine compounds as ORL-1 receptor antagonists | LILLY CO ELI | 2012-09-12 | — | — | CN | disclosed |
| WO-2011060217-A1 | SPIROPIPERIDINE COMPOUNDS AS ORL-1 RECEPTOR ANTAGONISTS | ELI LILLY AND COMPANY (US) | 2011-05-19 | — | — | WO | disclosed |