Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 3/20 | 0.57 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 9/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 8/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.48 |
| ▸ | HPGD | P15428 | 3/20 | 0.48 |
| ▸ | USP2 | O75604 | 1/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | EGFR | P00533 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL2073001 | 0.99 | ACHE (0.59) | ACHEPTPN11KDM4EHSD17B10ALDH1A1 | |
| SCHEMBL2076041 | 0.85 | ACHE (0.57) | ACHEPTPN11KDM4EHSD17B10ALDH1A1 | |
| SCHEMBL2074791 | 0.83 | ACHE (0.55) | ACHEPTPN11KDM4EHSD17B10ALDH1A1 | |
| SCHEMBL2073475 | 0.82 | ACHE (0.54) | ACHEPTPN11KDM4EHSD17B10ALDH1A1 | |
| SCHEMBL2075178 | 0.82 | CCNE1 (0.57) | ACHEPTPN11KDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL2075454 | 0.81 | ACHE (0.59) | ACHEPTPN11KDM4EALDH1A1USP2 | |
| SCHEMBL2073515 | 0.80 | ACHE (0.50) | ACHEPTPN11 | |
| SCHEMBL2075507 | 0.80 | HRH4 (0.47) | PTPN11 | |
| SCHEMBL2074799 | 0.79 | HRH4 (0.46) | ACHEPTPN11TSHR | |
| SCHEMBL4200961 | 0.77 | ACHE (0.50) | ACHEPTPN11KDM4EHSD17B10ALDH1A1 |
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 |