Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.36 |
| ▸ | IDO1 | P14902 | 2/20 | 0.36 |
| ▸ | CDK2 | P24941 | 2/20 | 0.36 |
| ▸ | PLK4 | O00444 | 1/20 | 0.36 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.36 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.36 |
| ▸ | DYRK3 | O43781 | 1/20 | 0.36 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.36 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.36 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.36 |
| ▸ | CDK1 | P06493 | 1/20 | 0.36 |
| ▸ | FES | P07332 | 1/20 | 0.36 |
| ▸ | RET | P07949 | 1/20 | 0.36 |
| ▸ | PIM1 | P11309 | 1/20 | 0.36 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.36 |
| ▸ | FER | P16591 | 1/20 | 0.36 |
| ▸ | MARK3 | P27448 | 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 | |
|---|---|---|---|---|
| SCHEMBL1805974 | 0.81 | PRKCQ (0.33) | ALDH1A1MAPK1GCGRKDM4ENPSR1 | |
| SCHEMBL1807796 | 0.79 | PLK4 (0.40) | ALDH1A1ALOX15HSD17B10MAPK1IDO1 | |
| SCHEMBL1807315 | 0.77 | ALDH1A1 (0.38) | ALDH1A1ALOX15HSD17B10MAPK1IDO1 | |
| SCHEMBL1808962 | 0.68 | TTR (0.37) | ALDH1A1ALOX15HSD17B10RETGCGR | |
| SCHEMBL1803609 | 0.64 | PRKCQ (0.32) | ALDH1A1 | |
| SCHEMBL1805611 | 0.63 | PLK4 (0.38) | ALDH1A1MAPK1IDO1CDK2PLK4 | |
| SCHEMBL22912511 | 0.62 | NPC1 (0.40) | ALDH1A1KCNN4KDM4ETDP1NPSR1 | |
| SCHEMBL8732576 | 0.62 | KCNN4 (0.54) | ALDH1A1ALOX15HSD17B10IDO1CDK2 | |
| SCHEMBL28996390 | 0.62 | TUBB4A (0.43) | ALDH1A1MAPK1IDO1KDM4EMAPT | |
| SCHEMBL1769832 | 0.62 | KCNN4 (0.41) | ALDH1A1HSD17B10MAPK1IDO1GCGR |
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 |
|---|---|---|---|---|---|---|---|
| EP-2501704-A1 | SPIROPIPERIDINE COMPOUNDS AS ORL-1 RECEPTOR ANTAGONISTS | Eli Lilly and Company (US) | 2012-09-26 | — | — | EP | disclosed |
| WO-2011060217-A1 | SPIROPIPERIDINE COMPOUNDS AS ORL-1 RECEPTOR ANTAGONISTS | ELI LILLY AND COMPANY (US) | 2011-05-19 | — | — | WO | disclosed |