Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | AGBL2 | Q5U5Z8 | 1/20 | 0.40 |
| ▸ | PTGDR2 | Q9Y5Y4 | 8/20 | 0.40 |
| ▸ | MMP1 | P03956 | 1/20 | 0.40 |
| ▸ | MMP2 | P08253 | 1/20 | 0.40 |
| ▸ | MMP3 | P08254 | 1/20 | 0.40 |
| ▸ | MMP9 | P14780 | 1/20 | 0.40 |
| ▸ | MMP12 | P39900 | 1/20 | 0.40 |
| ▸ | MMP13 | P45452 | 1/20 | 0.40 |
| ▸ | MMP14 | P50281 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | DDR1 | Q08345 | 2/20 | 0.38 |
| ▸ | FABP4 | P15090 | 1/20 | 0.38 |
| ▸ | FABP5 | Q01469 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL8023563 | 0.84 | ALDH1A1 (0.44) | ALDH1A1CYP3A4CYP2C9MAPK1SMN1; SMN2 | |
| SCHEMBL20451477 | 0.83 | LMNA (0.38) | ALDH1A1PTGDR2MMP1MMP2MMP3 | |
| SCHEMBL8032787 | 0.81 | ALDH1A1 (0.42) | ALDH1A1CYP3A4CYP2C9MAPK1SMN1; SMN2 | |
| SCHEMBL13739523 | 0.77 | TSHR (0.45) | TSHRAGBL2PTGDR2MMP1MMP2 | |
| SCHEMBL24429412 | 0.75 | CCR2 (0.50) | ALDH1A1CYP3A4CYP2C9MAPK1SMN1; SMN2 | |
| SCHEMBL8035016 | 0.75 | ALDH1A1 (0.44) | ALDH1A1CYP3A4CYP2C9MAPK1MMP1 | |
| SCHEMBL8023235 | 0.73 | MCL1 (0.51) | TSHRALDH1A1CYP3A4CYP2C9MAPK1 | |
| SCHEMBL2929280 | 0.73 | ALDH1A1 (0.45) | ALDH1A1CYP3A4CYP2C9MAPK1SMN1; SMN2 | |
| SCHEMBL24429345 | 0.72 | ALDH1A1 (0.50) | ALDH1A1CYP3A4CYP2C9MAPK1SMN1; SMN2 | |
| SCHEMBL19211068 | 0.71 | CYP26A1 (0.34) | TSHRAGBL2PTGDR2MMP1MMP2 |
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-2000066562-A1 | PYRAZOLES HAVING ANTIINFLAMMATORY ACTIVITY | DR. REDDY'S RESEARCH FOUNDATION (IN) | 2000-11-09 | — | — | WO | disclosed |