Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 2/20 | 0.48 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.44 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.42 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.41 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.41 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.41 |
| ▸ | TMEM97 | Q5BJF2 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | CCR9 | P51686 | 1/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.40 |
| ▸ | ACHE | P22303 | 2/20 | 0.40 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.40 |
| ▸ | HTR2A | P28223 | 1/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 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 | |
|---|---|---|---|---|
| SCHEMBL5169190 | 0.86 | SIGMAR1 (0.40) | GSK3BEPHX2NR1H4NR4A1NR4A2 | |
| SCHEMBL5167706 | 0.85 | EPHX2 (0.57) | GSK3BEPHX2NR1H4SIGMAR1TMEM97 | |
| SCHEMBL5169846 | 0.83 | KCNK3 (0.48) | NR1H4NR4A1NR4A2NR4A3SIGMAR1 | |
| SCHEMBL5165994 | 0.82 | TP53 (0.52) | EPHX2NR1H4NR4A1NR4A2NR4A3 | |
| SCHEMBL5167540 | 0.82 | ACHE (0.45) | NR4A1NR4A2NR4A3SIGMAR1TMEM97 | |
| SCHEMBL5166535 | 0.82 | SMN1; SMN2 (0.53) | NR1H4NR4A1NR4A2NR4A3SIGMAR1 | |
| SCHEMBL5170362 | 0.81 | SIGMAR1 (0.54) | NR1H4NR4A1NR4A2NR4A3SIGMAR1 | |
| Hydrochloric Acid SCHEMBL5166526 | 0.80 | SIGMAR1 (0.53) | NR1H4NR4A1NR4A2NR4A3SIGMAR1 | |
| SCHEMBL5166698 | 0.79 | SIGMAR1 (0.51) | EPHX2NR1H4NR4A2SIGMAR1TMEM97 | |
| SCHEMBL6247130 | 0.78 | ALDH1A1 (0.50) | ACHELMNAMAPTHPGD |
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-1561744-A2 | AMINE DERIVATIVES, PROCESS FOR PRODUCING THE SAME AND THEIR USE AS ANTIMYCOTIC AGENT | POLA CHEMICAL INDUSTRIES INC. (JP) | 2005-08-10 | — | — | EP | claimed |
| US-6329399-B1 | Antifungal amine derivatives and processing for producing the same | POLA CHEMICAL INDUSTRIES, INC. (JP) | 2001-12-11 | — | — | US | claimed |
| EP-1020426-A1 | AMINE DERIVATIVES AND PROCESS FOR PRODUCING THE SAME | POLA CHEMICAL INDUSTRIES, INC. (JP) | 2000-07-19 | — | — | EP | claimed |
| EP-1561744-B1 | AMINE DERIVATIVES, PROCESS FOR PRODUCING THE SAME AND THEIR USE AS ANTIMYCOTIC AGENT | POLA CHEM IND INC (JP) | 2007-04-18 | — | — | EP | disclosed |
| EP-1561744-A2 | AMINE DERIVATIVES, PROCESS FOR PRODUCING THE SAME AND THEIR USE AS ANTIMYCOTIC AGENT | POLA CHEMICAL INDUSTRIES INC. (JP) | 2005-08-10 | — | — | EP | disclosed |
| US-6329399-B1 | Antifungal amine derivatives and processing for producing the same | POLA CHEMICAL INDUSTRIES, INC. (JP) | 2001-12-11 | — | — | US | disclosed |
| EP-1020426-A1 | AMINE DERIVATIVES AND PROCESS FOR PRODUCING THE SAME | POLA CHEMICAL INDUSTRIES, INC. (JP) | 2000-07-19 | — | — | EP | disclosed |