Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 6/20 | 0.58 |
| ▸ | NPC1 | O15118 | 5/20 | 0.58 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.58 |
| ▸ | HPGD | P15428 | 3/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.54 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.54 |
| ▸ | LMNA | P02545 | 3/20 | 0.54 |
| ▸ | PKM | P14618 | 1/20 | 0.51 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.51 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.51 |
| ▸ | RELA | Q04206 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 3/20 | 0.51 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | CASP1 | P29466 | 1/20 | 0.50 |
| ▸ | TP53 | P04637 | 1/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.50 |
| ▸ | HTR1A | P08908 | 1/20 | 0.47 |
| ▸ | DRD2 | P14416 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL7584707 | 0.83 | NPC1 (0.56) | RAB9ANPC1SMN1; SMN2HPGDALDH1A1 | |
| SCHEMBL7584811 | 0.82 | NPC1 (0.52) | RAB9ANPC1SMN1; SMN2HPGDALDH1A1 | |
| SCHEMBL6982879 | 0.82 | PDPK1 (0.49) | RAB9ANPC1SMN1; SMN2HPGDALDH1A1 | |
| SCHEMBL6981786 | 0.82 | DYRK1A (0.49) | RAB9ANPC1SMN1; SMN2HPGDLMNA | |
| SCHEMBL6975865 | 0.81 | TP53 (0.51) | RAB9ANPC1SMN1; SMN2HPGDALDH1A1 | |
| SCHEMBL6983733 | 0.81 | DYRK1A (0.48) | RAB9ANPC1SMN1; SMN2HPGDALDH1A1 | |
| SCHEMBL6978201 | 0.81 | RAB9A (0.60) | RAB9ANPC1SMN1; SMN2HPGDALDH1A1 | |
| SCHEMBL23617613 | 0.80 | NPC1 (0.63) | RAB9ANPC1SMN1; SMN2HPGDALDH1A1 | |
| SCHEMBL6979685 | 0.79 | GAA (0.47) | RAB9ANPC1SMN1; SMN2HPGDALDH1A1 | |
| SCHEMBL6972014 | 0.79 | PLOD2 (0.41) | RAB9ANPC1SMN1; SMN2HPGDALDH1A1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1006114-B1 | PYRAZOLE DERIVATIVES AND COX INHIBITORS CONTAINING THEM | GRELAN PHARMACEUTICAL CO (JP) | 2003-01-22 | — | — | EP | disclosed |
| US-6136831-A | ANTIINFLAMMATORY AGENTS, GASTROINTESTINAL AGENTS, ENZYME INHIBITORS | GRELAN PHARMACEUTICAL CO., LTD. (JP) | 2000-10-24 | — | — | US | disclosed |
| EP-1006114-A1 | PYRAZOLE DERIVATIVES AND COX INHIBITORS CONTAINING THEM | Grelan Pharmaceutical Co., Ltd. (JP) | 2000-06-07 | — | — | EP | disclosed |