Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FBP1 | P09467 | 1/20 | 0.44 |
| ▸ | AHR | P35869 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | GSK3B | P49841 | 1/20 | 0.40 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | EGFR | P00533 | 1/20 | 0.39 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.39 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.38 |
| ▸ | RELA | Q04206 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.37 |
| ▸ | ESR1 | P03372 | 2/20 | 0.37 |
| ▸ | ABL1 | P00519 | 1/20 | 0.37 |
| ▸ | TTR | P02766 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL6154120 | 0.85 | PTGS2 (0.49) | AHRALDH1A1TP53TSHRKDM4E | |
| SCHEMBL14575304 | 0.80 | NR5A1 (0.50) | AHRLMNATP53TSHRNPC1 | |
| SCHEMBL14575303 | 0.80 | NR5A1 (0.50) | AHRLMNATP53TSHRNPC1 | |
| SCHEMBL39273 | 0.79 | G6PD (0.38) | FBP1ALDH1A1LMNATSHREGFR | |
| SCHEMBL30128810 | 0.77 | MMP13 (0.39) | FBP1AHRGSK3BNPC1RAB9A | |
| SCHEMBL6153918 | 0.76 | NR5A1 (0.50) | AHRLMNATP53TSHRNPC1 | |
| SCHEMBL6155725 | 0.75 | AMY1A (0.45) | ALDH1A1NPC1RAB9ACYP19A1PTGS2 | |
| SCHEMBL6154755 | 0.75 | AMY1A (0.45) | ALDH1A1LMNATSHRKDM4ENPC1 | |
| SCHEMBL7861278 | 0.73 | MAPT (0.40) | ALDH1A1KDM4ERAB9A | |
| SCHEMBL9632582 | 0.72 | FBP1 (0.53) | FBP1AHRALDH1A1CYP2A6LMNA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0257479-A1 | Substituted 1-aryl-3-tert.-butyl pyrazoles | BAYER AG (DE) | 1988-03-02 | — | — | EP | claimed |
| EP-0257479-A1 | Substituted 1-aryl-3-tert.-butyl pyrazoles | BAYER AG (DE) | 1988-03-02 | — | — | EP | disclosed |