Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | POLB | P06746 | 2/20 | 0.43 |
| ▸ | BRD4 | O60885 | 1/20 | 0.43 |
| ▸ | TDP2 | O95551 | 4/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | PDE4A | P27815 | 1/20 | 0.36 |
| ▸ | CASP1 | P29466 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL1807976 | 0.89 | MAPT (0.43) | KDM4EPOLBBRD4TDP2MAPT | |
| SCHEMBL1803979 | 0.89 | TDP2 (0.43) | KDM4EPOLBBRD4TDP2CYP3A4 | |
| SCHEMBL1806255 | 0.85 | METAP2 (0.38) | KDM4ECYP3A4MAPTCYP1A2ALDH1A1 | |
| SCHEMBL1806148 | 0.76 | KDM4E (0.46) | KDM4EPOLBMAPTCYP1A2SMN1; SMN2 | |
| SCHEMBL1809016 | 0.75 | KDM4E (0.48) | KDM4EPOLBTDP2MAPTSMN1; SMN2 | |
| SCHEMBL14263014 | 0.73 | ALDH1A1 (0.51) | KDM4EPOLBCYP3A4MAPTCYP1A2 | |
| SCHEMBL10916488 | 0.72 | TDP2 (0.43) | KDM4EPOLBBRD4TDP2SMN1; SMN2 | |
| SCHEMBL17918923 | 0.72 | TDP2 (0.64) | POLBTDP2 | |
| SCHEMBL1807009 | 0.72 | PDE4D (0.48) | KDM4EPOLBBRD4TDP2MAPT | |
| SCHEMBL108857 | 0.72 | BRD4 (0.63) | KDM4EPOLBBRD4TDP2CYP3A4 |
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-2501703-A1 | SPIROPIPERIDINE COMPOUNDS AS ORL-1 RECEPTOR ANTAGONISTS | Eli Lilly and Company (US) | 2012-09-26 | — | — | EP | disclosed |
| WO-2011060035-A1 | SPIROPIPERIDINE COMPOUNDS AS ORL-1 RECEPTOR ANTAGONISTS | ELI LILLY AND COMPANY (US) | 2011-05-19 | — | — | WO | disclosed |