Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.37 |
| ▸ | DAO | P14920 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.32 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.32 |
| ▸ | MAOA | P21397 | 1/20 | 0.32 |
| ▸ | HTR2C | P28335 | 1/20 | 0.32 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.32 |
| ▸ | HTR3A | P46098 | 1/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.32 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.31 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.31 |
| ▸ | CRHR1 | P34998 | 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 | |
|---|---|---|---|---|
| SCHEMBL7692200 | 0.82 | CYP3A4 (0.41) | CYP3A4ALDH1A1THRBTSHRCHRM2 | |
| SCHEMBL13061648 | 0.80 | GRIN1 (0.34) | CYP3A4ALDH1A1THRBCHRM2CHRM3 | |
| SCHEMBL19908549 | 0.77 | CA12 (0.36) | CYP3A4 | |
| SCHEMBL10361251 | 0.75 | SLC6A4 (0.33) | — | |
| SCHEMBL19908673 | 0.74 | CRHR1 (0.36) | ALDH1A1THRBKCNH2CRHR1 | |
| SCHEMBL8577057 | 0.73 | ALDH1A1 (0.50) | CYP3A4ALDH1A1THRBTSHRTP53 | |
| SCHEMBL7691111 | 0.72 | CYP3A4 (0.44) | CYP3A4ALDH1A1THRBTSHRCHRM2 | |
| SCHEMBL10361217 | 0.66 | SLC6A4 (0.32) | — | |
| SCHEMBL6816877 | 0.65 | ALDH3A1 (0.58) | CYP3A4ALDH1A1THRBTSHRCHRM2 | |
| SCHEMBL5544820 | 0.65 | ALDH1A1 (0.33) | CYP3A4ALDH1A1TSHRCRHR1 |
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-0065487-B1 | PHENYL UREA DERIVATIVE | CIBA-GEIGY AG (CH) | 1985-08-28 | — | — | EP | disclosed |
| EP-0065487-A1 | Phenyl urea derivative | CIBA-GEIGY AG (CH) | 1982-11-24 | — | — | EP | disclosed |