Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 3/20 | 0.57 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.48 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.44 |
| ▸ | CDC7 | O00311 | 1/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | FAAH | O00519 | 1/20 | 0.42 |
| ▸ | DPP4 | P27487 | 1/20 | 0.42 |
| ▸ | DPP8 | Q6V1X1 | 1/20 | 0.42 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
| ▸ | NAMPT | P43490 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | CCR4 | P51679 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL2073515 | 0.88 | ACHE (0.50) | ACHEPTPN11PKMFAAHDPP4 | |
| SCHEMBL2073001 | 0.86 | ACHE (0.59) | ACHEPTPN11MAPK8CDC7HSD17B10 | |
| SCHEMBL2075359 | 0.85 | ACHE (0.57) | ACHEPTPN11HSD17B10POLBKDM4E | |
| SCHEMBL2074791 | 0.80 | ACHE (0.55) | ACHEPTPN11HSD17B10CCR4KDM4E | |
| SCHEMBL2075178 | 0.79 | CCNE1 (0.57) | ACHEPTPN11KDM4EALDH1A1KMT2A | |
| SCHEMBL2073475 | 0.79 | ACHE (0.54) | ACHEPTPN11HSD17B10CCR4KDM4E | |
| SCHEMBL2075454 | 0.78 | ACHE (0.59) | ACHEPTPN11MAPK8CDC7GAA | |
| SCHEMBL2074972 | 0.76 | HRH4 (0.55) | HSD17B10POLBALDH1A1 | |
| SCHEMBL2074480 | 0.76 | HRH4 (0.55) | HSD17B10POLBALDH1A1 | |
| SCHEMBL2074954 | 0.76 | HRH4 (0.55) | HSD17B10POLBALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-7902184-B2 | Piperazinyl pyrimidine derivatives | HOFFMANN-LA ROCHE INC. (US) | 2011-03-08 | — | — | US | claimed |
| US-7902184-B2 | Piperazinyl pyrimidine derivatives | HOFFMANN-LA ROCHE INC. (US) | 2011-03-08 | — | — | US | disclosed |