Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SYK | P43405 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.37 |
| ▸ | CTSK | P43235 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | ACHE | P22303 | 1/20 | 0.34 |
| ▸ | PSMB5 | P28074 | 2/20 | 0.34 |
| ▸ | LGMN | Q99538 | 1/20 | 0.34 |
| ▸ | TPSAB1 | Q15661 | 2/20 | 0.33 |
| ▸ | PLG | P00747 | 1/20 | 0.33 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.33 |
| ▸ | CTSB | P07858 | 1/20 | 0.33 |
| ▸ | NTSR1 | P30989 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL8997603 | 0.89 | SYK (0.38) | SYKCYP1A2CTSKCA1CA2 | |
| SCHEMBL8582293 | 0.89 | SYK (0.44) | SYKCYP1A2CTSKCA1CA2 | |
| SCHEMBL8997886 | 0.86 | PRMT5 (0.31) | — | |
| SCHEMBL8997715 | 0.84 | CPB2 (0.31) | — | |
| SCHEMBL8997594 | 0.83 | SYK (0.40) | SYKCYP1A2CTSKCA1CA2 | |
| SCHEMBL8997804 | 0.81 | P2RY1 (0.37) | SYKCYP1A2CTSKCYP3A4CYP2D6 | |
| SCHEMBL8997607 | 0.81 | GHSR (0.35) | CYP1A2CYP2C9TSHR | |
| SCHEMBL8997619 | 0.80 | GHSR (0.35) | CYP1A2CYP2C9TSHR | |
| SCHEMBL8997596 | 0.80 | GHSR (0.35) | TSHR | |
| SCHEMBL8997593 | 0.79 | ALDH1A1 (0.35) | SYKCYP1A2CA1CA2ACHE |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0729972-A1 | Peptide derivatives of tetrahydronaphthalene | F. HOFFMANN-LA ROCHE AG (CH) | 1996-09-04 | — | — | EP | disclosed |