Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | PPM1B | O75688 | 1/20 | 0.46 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.46 |
| ▸ | PPP1CC | P36873 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.39 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.39 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.39 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.39 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.39 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.37 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.37 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | BRD4 | O60885 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL20075282 | 1.00 | CYP2C19 (0.50) | CYP2C19PPM1BPTPN1PPP1CCALDH1A1 | |
| SCHEMBL2080386 | 1.00 | CYP2C19 (0.50) | CYP2C19PPM1BPTPN1PPP1CCALDH1A1 | |
| SCHEMBL13139972 | 1.00 | CYP2C19 (0.50) | CYP2C19PPM1BPTPN1PPP1CCALDH1A1 | |
| SCHEMBL2081942 | 1.00 | CYP2C19 (0.50) | CYP2C19PPM1BPTPN1PPP1CCALDH1A1 | |
| SCHEMBL5490936 | 0.87 | PPM1B (0.56) | CYP2C19PPM1BPTPN1PPP1CCALDH1A1 | |
| SCHEMBL257600 | 0.87 | PPM1B (0.56) | CYP2C19PPM1BPTPN1PPP1CCALDH1A1 | |
| SCHEMBL8917467 | 0.87 | PPM1B (0.56) | CYP2C19PPM1BPTPN1PPP1CCALDH1A1 | |
| SCHEMBL4036804 | 0.87 | PPM1B (0.56) | CYP2C19PPM1BPTPN1PPP1CCALDH1A1 | |
| SCHEMBL11788035 | 0.86 | CYP2C19 (0.46) | CYP2C19PPM1BPTPN1PPP1CCALDH1A1 | |
| SCHEMBL2132206 | 0.85 | CYP2C19 (0.41) | CYP2C19PPM1BPTPN1PPP1CCPOLB |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0805682-A1 | DERMATOLOGICAL USE OF VITAMIN D DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 1997-11-12 | — | — | EP | disclosed |
| US-5623078-A | Process for producing an intermediate of a new quinolone compound | CHISSO CORPORATION (JP) | 1997-04-22 | — | — | US | disclosed |
| WO-1996022776-A1 | DERMATOLOGICAL USE OF VITAMIN D DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 1996-08-01 | — | — | WO | disclosed |