Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGDR2 | Q9Y5Y4 | 10/20 | 0.52 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.44 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 2/20 | 0.42 |
| ▸ | USP2 | O75604 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL27832628 | 0.81 | PTGDR2 (0.48) | PTGDR2HDAC3HDAC1POLBCYP2D6 | |
| SCHEMBL27892082 | 0.81 | PTGDR2 (0.48) | PTGDR2HDAC3HDAC1POLBALDH1A1 | |
| SCHEMBL27474540 | 0.81 | PTGDR2 (0.48) | PTGDR2HDAC3HDAC1POLBCYP2D6 | |
| SCHEMBL7821831 | 0.81 | CYP1A2 (0.48) | PTGDR2NR4A2POLBUSP2ALDH1A1 | |
| SCHEMBL50486 | 0.80 | PTGDR2 (0.53) | PTGDR2ALDH1A1CYP2D6SLC6A2SLC6A4 | |
| SCHEMBL30730923 | 0.80 | PTGDR2 (0.53) | PTGDR2ALDH1A1CYP2D6SLC6A2SLC6A4 | |
| Ammonia Solution, Strong SCHEMBL29036685 | 0.78 | PTGDR2 (0.51) | PTGDR2ALDH1A1CYP2D6SLC6A2SLC6A4 | |
| SCHEMBL341578 | 0.78 | PTGDR2 (0.50) | PTGDR2HDAC3HDAC1ALDH1A1CYP2D6 | |
| SCHEMBL2731512 | 0.78 | ALDH1A1 (0.50) | PTGDR2ALDH1A1CYP2D6SLC6A2SLC6A4 | |
| SCHEMBL28794360 | 0.78 | PTGDR2 (0.50) | PTGDR2HDAC3HDAC1ALDH1A1CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0251466-A2 | Chemical process for the preparation of esters of substituted cyclopropyl caboxylic acids | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1988-01-07 | — | — | EP | disclosed |