Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NSD2 | O96028 | 1/20 | 0.40 |
| ▸ | CASP6 | P55212 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.30 |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
| ▸ | CASP1 | P29466 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL25993283 | 0.84 | NSD2 (0.33) | NSD2CASP6 | |
| SCHEMBL534087 | 0.71 | CYP3A4 (0.34) | CYP3A4TSHRPIK3CAALDH1A1TDP1 | |
| SCHEMBL6965668 | 0.70 | ALDH1A1 (0.45) | CYP3A4TSHRALDH1A1TDP1 | |
| SCHEMBL533678 | 0.69 | NOS3 (0.33) | CYP3A4TSHRPIK3CAALDH1A1TDP1 | |
| SCHEMBL19159750 | 0.69 | NSD2 (0.40) | NSD2CASP6POLB | |
| Oxirane SCHEMBL4234856 | 0.67 | POLB (0.50) | CYP3A4TSHRPIK3CAALDH1A1TDP1 | |
| SCHEMBL10702013 | 0.67 | CHRNB2 (0.37) | CYP3A4ALDH1A1TDP1 | |
| Propylene Oxide SCHEMBL4241955 | 0.67 | POLB (0.45) | CYP3A4TSHRPIK3CAALDH1A1TDP1 | |
| Fluoride SCHEMBL1502751 | 0.67 | CYP3A4 (0.48) | CYP3A4TSHRPIK3CAALDH1A1TDP1 | |
| SCHEMBL20328775 | 0.65 | TDP1 (0.45) | NSD2CASP6CYP3A4TSHRALDH1A1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0797575-B1 | IMIDAZOLE DERIVATIVES AS PROTEIN KINASE INHIBITORS IN PARTICULAR EGF-R TYROSINE KINASE | HOFFMANN LA ROCHE (CH) | 2003-10-15 | — | — | EP | disclosed |
| US-5959113-A | REACTING A DIKETONE DERIVATIVE WITH AN ALDEHYDE DERIVATIVE; ADMINISTERING TO TREAT ATHEROSCLEROSIS, PSORIASIS, ALOPECIA AND TUMORS | HOFFMANN-LA ROCHE INC. (US) | 1999-09-28 | — | — | US | disclosed |
| EP-0797575-A1 | IMIDAZOLE DERIVATIVES AS PROTEIN KINASE INHIBITORS IN PARTICULAR EGF-R TYROSINE KINASE | F. HOFFMANN-LA ROCHE AG (CH) | 1997-10-01 | — | — | EP | disclosed |
| WO-1996018626-A1 | IMIDAZOLE DERIVATIVES AS PROTEIN KINASE INHIBITORS IN PARTICULAR EGF-R TYROSINE KINASE | F. HOFFMANN-LA ROCHE AG (CH) | 1996-06-20 | — | — | WO | disclosed |