Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | ACHE | P22303 | 1/20 | 0.34 |
| ▸ | P2RY1 | P47900 | 4/20 | 0.33 |
| ▸ | SYK | P43405 | 1/20 | 0.33 |
| ▸ | GHSR | Q92847 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.32 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.32 |
| ▸ | TSHR | P16473 | 2/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | CASP3 | P42574 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.30 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.30 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8997648 | 0.92 | SYK (0.38) | CA1CA2ACHESYKGHSR | |
| SCHEMBL8997778 | 0.88 | MEN1 (0.40) | CA1CA2ACHEP2RY1SYK | |
| SCHEMBL8997810 | 0.88 | P2RY1 (0.39) | P2RY1KDM4E | |
| SCHEMBL8997804 | 0.84 | P2RY1 (0.37) | P2RY1SYKCYP3A4TSHRKDM4E | |
| SCHEMBL8997699 | 0.82 | CA1 (0.36) | CA1CA2ACHESYKGHSR | |
| SCHEMBL8997631 | 0.81 | SYK (0.35) | CA1CA2ACHESYKGHSR | |
| SCHEMBL8561322 | 0.81 | SYK (0.40) | CA1CA2ACHESYKGHSR | |
| SCHEMBL8567143 | 0.81 | CA1 (0.39) | CA1CA2ACHESYKGHSR | |
| SCHEMBL8575729 | 0.81 | CA1 (0.39) | CA1CA2ACHESYKGHSR | |
| SCHEMBL8614342 | 0.81 | GHSR (0.40) | P2RY1GHSRKDM4E |
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 |