Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | ERN1 | O75460 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.36 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | HTR7 | P34969 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.34 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | RECQL | P46063 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | PDE7A | Q13946 | 2/20 | 0.33 |
| ▸ | PDE4A | P27815 | 1/20 | 0.33 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.33 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.33 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL1805377 | 0.92 | ERN1 (0.40) | ALDH1A1ERN1SMN1; SMN2HTTPOLB | |
| SCHEMBL1812768 | 0.89 | ALDH1A1 (0.42) | ALDH1A1TSHRSMN1; SMN2POLBMEN1 | |
| SCHEMBL1806128 | 0.86 | ERN1 (0.35) | ALDH1A1ERN1SMN1; SMN2HTTPOLB | |
| SCHEMBL1808455 | 0.82 | C5AR1 (0.33) | ALDH1A1ERN1SMN1; SMN2HTTPOLB | |
| SCHEMBL1806793 | 0.81 | OPRL1 (0.43) | ERN1 | |
| SCHEMBL1809429 | 0.81 | POLB (0.32) | ALDH1A1ERN1SMN1; SMN2HTTPOLB | |
| SCHEMBL1805884 | 0.81 | ERN1 (0.40) | ALDH1A1TSHRERN1SMN1; SMN2HTT | |
| SCHEMBL1808442 | 0.80 | ALDH1A1 (0.39) | ALDH1A1ERN1SMN1; SMN2HTTPOLB | |
| SCHEMBL11972554 | 0.80 | OPRL1 (0.43) | ALDH1A1ERN1SMN1; SMN2HTTPOLB | |
| SCHEMBL11972766 | 0.79 | GAA (0.44) | ALDH1A1ERN1HTTPOLBKMT2A |
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 |