Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | RECQL | P46063 | 1/20 | 0.48 |
| ▸ | MMP9 | P14780 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.33 |
| ▸ | GRIK2 | Q13002 | 1/20 | 0.33 |
| ▸ | PLAU | P00749 | 1/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.33 |
| ▸ | BCHE | P06276 | 1/20 | 0.33 |
| ▸ | ACHE | P22303 | 1/20 | 0.33 |
| ▸ | PAM | P19021 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.32 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.31 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL9276381 | 0.83 | ALDH1A1 (0.62) | ALDH1A1CYP3A4RECQLKDM4EPTGS2 | |
| SCHEMBL9276383 | 0.83 | ALDH1A1 (0.62) | ALDH1A1CYP3A4RECQLKDM4EPTGS2 | |
| SCHEMBL2834584 | 0.81 | KDM4E (0.53) | ALDH1A1CYP3A4RECQLKDM4EMAPK1 | |
| SCHEMBL13679677 | 0.81 | GRIK1 (0.33) | ALDH1A1CYP3A4RECQLKDM4EMAPK1 | |
| SCHEMBL2834582 | 0.81 | KDM4E (0.53) | ALDH1A1CYP3A4RECQLKDM4EMAPK1 | |
| SCHEMBL8724518 | 0.77 | ALDH1A1 (0.52) | ALDH1A1CYP3A4RECQLMMP9PAM | |
| SCHEMBL221967 | 0.75 | ALDH1A1 (0.59) | ALDH1A1CYP3A4RECQLMMP9KDM4E | |
| SCHEMBL221968 | 0.75 | ALDH1A1 (0.59) | ALDH1A1CYP3A4RECQLMMP9KDM4E | |
| SCHEMBL13583200 | 0.74 | PTGS2 (0.64) | ALDH1A1CYP3A4RECQLMMP9GRIK1 | |
| SCHEMBL13583204 | 0.74 | PTGS2 (0.64) | ALDH1A1CYP3A4RECQLMMP9GRIK1 |
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-0999835-B1 | IMIDAZOLE DERIVATIVES AS MDR MODULATORS | TAIJI BIOMEDICAL INC (US) | 2009-09-09 | — | — | EP | disclosed |
| EP-2082740-A2 | Use of imidazole derivatives as MDR modulators | Taiji Biomedical, Inc. (US) | 2009-07-29 | — | — | EP | disclosed |