Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | L3MBTL3 | Q96JM7 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | NCF1 | P14598 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL130019 | 1.00 | KDM4E (0.35) | KDM4ETDP1HRH4MAPK1ALDH1A1 | |
| SCHEMBL130059 | 1.00 | KDM4E (0.35) | KDM4ETDP1HRH4MAPK1ALDH1A1 | |
| SCHEMBL150654 | 1.00 | KDM4E (0.35) | KDM4ETDP1HRH4MAPK1ALDH1A1 | |
| SCHEMBL132106 | 1.00 | KDM4E (0.35) | KDM4ETDP1HRH4MAPK1ALDH1A1 | |
| SCHEMBL131418 | 1.00 | KDM4E (0.35) | KDM4ETDP1HRH4MAPK1ALDH1A1 | |
| Hydrochloric Acid SCHEMBL152282 | 0.98 | KDM4E (0.34) | KDM4ETDP1HRH4MAPK1ALDH1A1 | |
| Hydrochloric Acid SCHEMBL152283 | 0.98 | KDM4E (0.34) | KDM4ETDP1HRH4MAPK1ALDH1A1 | |
| Hydrochloric Acid SCHEMBL152284 | 0.98 | KDM4E (0.34) | KDM4ETDP1HRH4MAPK1ALDH1A1 | |
| SCHEMBL257143 | 0.88 | KDM4E (0.33) | KDM4ETDP1NCF1 | |
| SCHEMBL20075878 | 0.88 | KDM4E (0.33) | KDM4ETDP1NCF1 |
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-2012028331-A1 | SUBSTITUTED TETRAHYDROPYRROLOPYRAZINE DERIVATIVES | Grünenthal GmbH (DE) | 2012-03-08 | — | — | WO | disclosed |