Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.36 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.36 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.36 |
| ▸ | GHSR | Q92847 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | KCNA3 | P22001 | 2/20 | 0.34 |
| ▸ | CXCR5 | P32302 | 2/20 | 0.32 |
| ▸ | RHOA | P61586 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | HTR1A | P08908 | 1/20 | 0.30 |
| ▸ | CTSS | P25774 | 1/20 | 0.30 |
| ▸ | CTSK | P43235 | 1/20 | 0.30 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.30 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.30 |
| ▸ | ADRA2C | P18825 | 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 | |
|---|---|---|---|---|
| SCHEMBL8563393 | 0.96 | CYP3A4 (0.38) | CYP3A4ADRB2ADRB1ADRB3GHSR | |
| SCHEMBL8567143 | 0.89 | CA1 (0.39) | CYP3A4GHSRALDH1A1TSHRMAPT | |
| SCHEMBL8575729 | 0.89 | CA1 (0.39) | CYP3A4GHSRALDH1A1TSHRMAPT | |
| SCHEMBL8845103 | 0.87 | GHSR (0.41) | CYP3A4ADRB2ADRB1ADRB3GHSR | |
| SCHEMBL8997625 | 0.82 | GHSR (0.37) | ADRB2GHSRMAPTHTR1ACTSS | |
| SCHEMBL8561422 | 0.79 | CTSV (0.36) | ALDH1A1MAPT | |
| SCHEMBL8997600 | 0.78 | SYK (0.40) | CYP3A4ALDH1A1HSD17B10MAPT | |
| SCHEMBL8559137 | 0.77 | GHSR (0.39) | GHSRHTR1A | |
| SCHEMBL8560312 | 0.77 | GHSR (0.39) | GHSRHTR1A | |
| SCHEMBL8997619 | 0.77 | GHSR (0.35) | ADRB2ADRB1ADRB3GHSRTSHR |
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-0640618-B1 | Tetrahydronaphthalene-peptide derivatives | HOFFMANN LA ROCHE (CH) | 1999-10-20 | — | — | EP | disclosed |
| EP-0640618-A1 | Tetrahydronaphthalene-peptide derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 1995-03-01 | — | — | EP | disclosed |