Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDH1 | O75874 | 1/20 | 0.48 |
| ▸ | HRH4 | Q9H3N8 | 6/20 | 0.47 |
| ▸ | OGA | O60502 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | SHMT2 | P34897 | 1/20 | 0.43 |
| ▸ | ALK | Q9UM73 | 3/20 | 0.42 |
| ▸ | IGF1R | P08069 | 2/20 | 0.42 |
| ▸ | TP53BP1 | Q12888 | 1/20 | 0.42 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.42 |
| ▸ | GSK3B | P49841 | 1/20 | 0.41 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.41 |
| ▸ | ACACB | O00763 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL2075511 | 0.99 | HRH4 (0.48) | IDH1HRH4OGAKDM4EALDH1A1 | |
| SCHEMBL2074799 | 0.84 | HRH4 (0.46) | IDH1HRH4SHMT2ALKIGF1R | |
| SCHEMBL2075507 | 0.83 | HRH4 (0.47) | IDH1HRH4SHMT2ALKIGF1R | |
| SCHEMBL2073765 | 0.78 | HRH4 (0.50) | HRH4OGAALDH1A1SHMT2CXCR4 | |
| SCHEMBL1089041 | 0.78 | CCR4 (0.52) | HRH4KDM4EALDH1A1ALKIGF1R | |
| SCHEMBL2072892 | 0.77 | OGA (0.48) | HRH4OGACXCR4 | |
| SCHEMBL2072493 | 0.76 | SMN1; SMN2 (0.46) | HRH4ALDH1A1GSK3BDYRK1A | |
| SCHEMBL2076140 | 0.76 | OGA (0.47) | HRH4OGAALDH1A1GSK3BDYRK1A | |
| SCHEMBL1089742 | 0.75 | HRH4 (0.49) | HRH4SHMT2ALKIGF1RCXCR4 | |
| SCHEMBL2074665 | 0.74 | KDM4E (0.46) | HRH4OGAKDM4EALDH1A1LMNA |
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 |
|---|---|---|---|---|---|---|---|
| US-7902184-B2 | Piperazinyl pyrimidine derivatives | HOFFMANN-LA ROCHE INC. (US) | 2011-03-08 | — | — | US | disclosed |