Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PPARA | Q07869 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | KEAP1 | Q14145 | 4/20 | 0.38 |
| ▸ | NFE2L2 | Q16236 | 4/20 | 0.38 |
| ▸ | MMP1 | P03956 | 2/20 | 0.35 |
| ▸ | MMP2 | P08253 | 2/20 | 0.35 |
| ▸ | MMP9 | P14780 | 2/20 | 0.35 |
| ▸ | MMP8 | P22894 | 2/20 | 0.35 |
| ▸ | MMP13 | P45452 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | TSHR | P16473 | 3/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | C1S | P09871 | 2/20 | 0.34 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA4 | P22748 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL7922072 | 0.84 | PPARA (0.46) | PPARAALDH1A1TSHRGAASMN1; SMN2 | |
| SCHEMBL6747388 | 0.71 | F2 (0.52) | — | |
| SCHEMBL9891118 | 0.69 | MAPK1 (0.51) | MAPK1KEAP1NFE2L2ALDH1A1TSHR | |
| SCHEMBL7669863 | 0.66 | F2 (0.52) | — | |
| SCHEMBL7645122 | 0.65 | F2 (0.71) | — | |
| Hydrochloric Acid SCHEMBL6749262 | 0.64 | F2 (0.70) | — | |
| SCHEMBL7451126 | 0.64 | MEN1 (0.43) | PPARAKEAP1NFE2L2ALDH1A1GAA | |
| SCHEMBL7414200 | 0.62 | ITGB3 (0.51) | MMP2MMP9 | |
| SCHEMBL8608373 | 0.62 | LMNA (0.51) | KEAP1NFE2L2ALDH1A1TSHR | |
| Hydrochloric Acid SCHEMBL6745599 | 0.62 | F2 (0.69) | — |
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-6235778-B1 | ANTICOAGULANTS | 3-DIMENSIONAL PHARMACEUTICALS, INC. | 2001-05-22 | — | — | US | disclosed |