Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | CA2 | P00918 | 2/20 | 0.39 |
| ▸ | CA5A | P35218 | 1/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.37 |
| ▸ | ESR1 | P03372 | 3/20 | 0.37 |
| ▸ | MAPT | P10636 | 3/20 | 0.37 |
| ▸ | TTR | P02766 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | HPGD | P15428 | 2/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | RECQL | P46063 | 1/20 | 0.34 |
| ▸ | BLM | P54132 | 1/20 | 0.34 |
| ▸ | SMAD3 | P84022 | 1/20 | 0.34 |
| ▸ | PRMT1 | Q99873 | 1/20 | 0.34 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.34 |
| ▸ | FTO | Q9C0B1 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL21326744 | 0.84 | KDM4E (0.37) | KDM4EALDH1A1CYP3A4CA2CA5A | |
| SCHEMBL282032 | 0.77 | ALDH1A1 (0.60) | KDM4EALDH1A1CYP3A4CA2CA5A | |
| SCHEMBL13720817 | 0.77 | CA2 (0.46) | CYP3A4CA2CA5AESR2ESR1 | |
| SCHEMBL13005014 | 0.73 | DRD2 (0.46) | CA2CA5A | |
| SCHEMBL21326841 | 0.72 | KMT2A (0.34) | KDM4EALDH1A1KMT2AMAPTCCR1 | |
| SCHEMBL22032186 | 0.71 | SIGMAR1 (0.44) | CYP3A4KMT2AMEN1CYP2C19CCR1 | |
| SCHEMBL4974003 | 0.70 | ALDH1A1 (0.49) | KDM4EALDH1A1CA2CA5AESR2 | |
| SCHEMBL31254037 | 0.70 | ALDH1A1 (0.49) | KDM4EALDH1A1CA2CA5AESR2 | |
| SCHEMBL21712131 | 0.70 | CCR1 (0.38) | KMT2ACCR1 | |
| SCHEMBL11114046 | 0.69 | KDM4E (0.63) | KDM4EALDH1A1CA2ESR2KMT2A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012049555-A1 | SPIROCYCLIC COMPOUNDS AS VOLTAGE-GATED SODIUM CHANNEL MODULATORS | LUPIN LIMITED (IN) | 2012-04-19 | — | — | WO | disclosed |