Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABL1 | P00519 | 1/20 | 0.57 |
| ▸ | SLC6A3 | Q01959 | 6/20 | 0.51 |
| ▸ | PTGDR2 | Q9Y5Y4 | 6/20 | 0.49 |
| ▸ | PTGDR | Q13258 | 5/20 | 0.49 |
| ▸ | NR4A2 | P43354 | 2/20 | 0.47 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | CASP1 | P29466 | 1/20 | 0.43 |
| ▸ | CASP7 | P55210 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | PTGER2 | P43116 | 1/20 | 0.43 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.42 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | NFKB1 | P19838 | 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 | |
|---|---|---|---|---|
| SCHEMBL31511697 | 0.90 | ABL1 (0.50) | ABL1SLC6A3PTGDR2PTGDRNR4A2 | |
| SCHEMBL28991434 | 0.82 | CA12 (0.59) | ABL1ALDH1A1KDM4EGAAHPGD | |
| SCHEMBL16951724 | 0.82 | PDK2 (0.46) | ABL1SLC6A3PTGDR2NR4A2ALDH1A1 | |
| SCHEMBL31511716 | 0.81 | ABL1 (0.45) | ABL1SLC6A3PTGDR2PTGDRNR4A2 | |
| SCHEMBL16951721 | 0.81 | PDK2 (0.42) | ABL1SLC6A3ALDH1A1KDM4EGAA | |
| SCHEMBL16836609 | 0.81 | SLC6A3 (0.45) | SLC6A3PTGDR2SLC6A4ALDH1A1KDM4E | |
| SCHEMBL26788225 | 0.81 | KDM4E (0.50) | PTGDR2NR4A2ALDH1A1KDM4EGAA | |
| SCHEMBL14686745 | 0.81 | GAA (0.58) | ABL1ALDH1A1KDM4EGAAHPGD | |
| SCHEMBL15567556 | 0.81 | NR4A2 (0.47) | ABL1SLC6A3PTGDR2PTGDRNR4A2 | |
| SCHEMBL28203667 | 0.80 | TSHR (0.55) | PTGDR2PTGDRALDH1A1KDM4ECASP1 |
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-2012133607-A1 | PYRAZOLE COMPOUND | アステラス製薬株式会社 (JP) | 2012-10-04 | — | — | WO | disclosed |