Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PRKCZ | Q05513 | 3/20 | 0.41 |
| ▸ | CA1 | P00915 | 2/20 | 0.34 |
| ▸ | CA2 | P00918 | 2/20 | 0.34 |
| ▸ | ACHE | P22303 | 2/20 | 0.34 |
| ▸ | PRKCI | P41743 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.34 |
| ▸ | HPGD | P15428 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.34 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8844932 | 0.90 | PRKCZ (0.42) | PRKCZCA1CA2ACHEPRKCI | |
| SCHEMBL8560808 | 0.86 | SYK (0.35) | CA1CA2ACHECYP3A4TSHR | |
| SCHEMBL8574453 | 0.85 | CA1 (0.35) | CA1CA2ACHEPTGDR2CYP3A4 | |
| SCHEMBL8575729 | 0.84 | CA1 (0.39) | CA1CA2ACHECYP3A4TSHR | |
| SCHEMBL8567143 | 0.84 | CA1 (0.39) | CA1CA2ACHECYP3A4TSHR | |
| SCHEMBL8561422 | 0.78 | CTSV (0.36) | CA1CA2ACHEALDH1A1MEN1 | |
| SCHEMBL8844917 | 0.74 | GHSR (0.35) | CA1CA2ACHECYP3A4TSHR | |
| SCHEMBL8844903 | 0.74 | CTSS (0.38) | CA1CA2ACHEPTGDR2CYP3A4 | |
| SCHEMBL8573147 | 0.73 | CYP3A4 (0.37) | CYP3A4TSHRALDH1A1MAPT | |
| SCHEMBL8997600 | 0.72 | SYK (0.40) | CA1CA2ACHECYP1A2CYP3A4 |
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 |