Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 5/20 | 0.47 |
| ▸ | PTGS2 | P35354 | 5/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.47 |
| ▸ | ACLY | P53396 | 1/20 | 0.43 |
| ▸ | CFD | P00746 | 1/20 | 0.43 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.41 |
| ▸ | MMP2 | P08253 | 2/20 | 0.41 |
| ▸ | MMP9 | P14780 | 2/20 | 0.41 |
| ▸ | MMP12 | P39900 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL5776943 | 0.84 | CXCL8 (0.53) | PTGS1PTGS2CA2 | |
| SCHEMBL11122074 | 0.82 | CA2 (0.49) | PTGS1PTGS2CA2MAPK1SMN1; SMN2 | |
| SCHEMBL10570687 | 0.82 | ALDH1A1 (0.51) | PTGS1ACLYCFDMAPK1SMN1; SMN2 | |
| SCHEMBL11125379 | 0.82 | PTGS1 (0.46) | PTGS1PTGS2CA2SLC22A12MMP2 | |
| SCHEMBL14374856 | 0.81 | ACLY (0.42) | PTGS1PTGS2CA2ACLY | |
| SCHEMBL514554 | 0.79 | CA2 (0.54) | PTGS1PTGS2CA2SLC22A12MAPK1 | |
| SCHEMBL11119042 | 0.77 | PTGS1 (0.45) | PTGS1PTGS2CA2MAPK1SMN1; SMN2 | |
| SCHEMBL11119555 | 0.76 | ALDH1A1 (0.44) | PTGS1PTGS2CA2MAPK1SMN1; SMN2 | |
| SCHEMBL9571369 | 0.75 | CA2 (0.54) | PTGS1PTGS2CA2SLC22A12 | |
| SCHEMBL12255166 | 0.75 | MRGPRX1 (0.47) | ACLY |
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-1652839-A2 | Drug efflux pump inhibitor | DAIICHI PHARMACEUTICAL CO., LTD. (JP) | 2006-05-03 | — | — | EP | disclosed |
| EP-1227084-B1 | DRUG DISCHARGE PUMP INHIBITORS | TRINE PHARMACEUTICALS INC (US) | 2005-12-14 | — | — | EP | disclosed |
| EP-1227084-A1 | DRUG DISCHARGE PUMP INHIBITORS | Microcide Pharmaceuticals, Inc. (US) | 2002-07-31 | — | — | EP | disclosed |