Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.38 |
| ▸ | MGLL | Q99685 | 2/20 | 0.38 |
| ▸ | FAAH | O00519 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | G6PD | P11413 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.36 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.36 |
| ▸ | GPR84 | Q9NQS5 | 5/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL23402822 | 0.91 | ALDH1A1 (0.42) | ALDH1A1MGLLHPGDMEN1KMT2A | |
| SCHEMBL23398390 | 0.88 | ALDH1A1 (0.50) | ALDH1A1PTGS1PTGS2MGLLFAAH | |
| SCHEMBL23402899 | 0.88 | ALDH1A1 (0.42) | ALDH1A1PTGS1PTGS2MGLLFAAH | |
| SCHEMBL23402237 | 0.84 | ALDH1A1 (0.45) | ALDH1A1PTGS1PTGS2MGLLFAAH | |
| SCHEMBL23402550 | 0.82 | ALDH1A1 (0.37) | ALDH1A1NR1H2NR1H3TDP1CTRC | |
| SCHEMBL23402421 | 0.80 | ALDH1A1 (0.53) | ALDH1A1MEN1KMT2AADORA2B | |
| SCHEMBL11667145 | 0.77 | ALDH1A1 (0.42) | ALDH1A1PTGS1PTGS2MGLLFAAH | |
| SCHEMBL23402801 | 0.77 | CTRC (0.35) | ALDH1A1HPGDTSHRHSD17B10MEN1 | |
| SCHEMBL23401045 | 0.77 | ALDH1A1 (0.40) | ALDH1A1CYP1A2CYP2C19MEN1KMT2A | |
| SCHEMBL23401168 | 0.77 | HPD (0.36) | ALDH1A1PTGS1PTGS2MGLLFAAH |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0212281-B1 | 1-HETEROARYL-4-ARYL-PYRAZOLE DERIVATIVES | BAYER AG (DE) | 1989-09-06 | — | — | EP | claimed |
| EP-0165448-B1 | 1-HETEROARYL-4-ARYL-PYRAZOLIN-5-ONES | BAYER AG (DE) | 1991-10-16 | — | — | EP | disclosed |
| EP-0212281-B1 | 1-HETEROARYL-4-ARYL-PYRAZOLE DERIVATIVES | BAYER AG (DE) | 1989-09-06 | — | — | EP | disclosed |
| US-4806540-A | FUNGICIDES, PARASITICIDES, AND SLIMICIDES | BAYER AKTIENGESELLSCHAFT (DE) | 1989-02-21 | — | — | US | disclosed |
| US-4772608-A | FUNGICIDES, BACTERICIDES, SLIMICIDES | BAYER AKTIENGESELLSCHAFT (DE) | 1988-09-20 | — | — | US | disclosed |
| EP-0212281-A1 | 1-Heteroaryl-4-aryl-pyrazole derivatives | BAYER AG (DE) | 1987-03-04 | — | — | EP | disclosed |
| EP-0165448-A2 | 1-Heteroaryl-4-aryl-pyrazolin-5-ones | BAYER AG (DE) | 1985-12-27 | — | — | EP | disclosed |