Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIK1 | P39086 | 2/20 | 0.33 |
| ▸ | GRIK2 | Q13002 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.32 |
| ▸ | BCHE | P06276 | 1/20 | 0.32 |
| ▸ | ACHE | P22303 | 1/20 | 0.32 |
| ▸ | PAM | P19021 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | PTGS1 | P23219 | 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 | |
|---|---|---|---|---|
| SCHEMBL18821936 | 0.82 | ALDH1A1 (0.41) | PAMCYP3A4ALDH1A1RECQLCYP4F2 | |
| SCHEMBL13679671 | 0.81 | ALDH1A1 (0.48) | GRIK1GRIK2KDM4EMAPK1PTGS2 | |
| SCHEMBL3595590 | 0.79 | KDM4E (0.48) | GRIK1GRIK2KDM4EMAPK1PTGS2 | |
| SCHEMBL3595592 | 0.79 | KDM4E (0.48) | GRIK1GRIK2KDM4EMAPK1PTGS2 | |
| SCHEMBL9714628 | 0.76 | ALDH1A1 (0.52) | GRIK1GRIK2PTGS2PAMCYP3A4 | |
| SCHEMBL9714638 | 0.76 | ALDH1A1 (0.52) | GRIK1GRIK2PTGS2PAMCYP3A4 | |
| SCHEMBL9714631 | 0.76 | ALDH1A1 (0.52) | GRIK1GRIK2PTGS2PAMCYP3A4 | |
| SCHEMBL3466529 | 0.73 | CYP2C19 (0.43) | GRIK1GRIK2KDM4ERAB9ACYP3A4 | |
| SCHEMBL3466530 | 0.73 | CYP2C19 (0.43) | GRIK1GRIK2KDM4ERAB9ACYP3A4 | |
| SCHEMBL2451125 | 0.71 | NFE2L2 (0.50) | GRIK1GRIK2PTGS1 |
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 |