Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.39 |
| ▸ | CYP26B1 | Q9NR63 | 4/20 | 0.39 |
| ▸ | CYP26A1 | O43174 | 3/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | QPCT | Q16769 | 13/20 | 0.35 |
| ▸ | QPCTL | Q9NXS2 | 1/20 | 0.35 |
| ▸ | PPARD | Q03181 | 1/20 | 0.32 |
| ▸ | PPARA | Q07869 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL8562406 | 0.85 | HTR6 (0.39) | QPCTQPCTLPPARDPPARA | |
| SCHEMBL8564812 | 0.84 | ESR1 (0.31) | ESR1QPCT | |
| SCHEMBL8557055 | 0.83 | ITGB3 (0.38) | QPCTQPCTLPPARDPPARA | |
| SCHEMBL8559860 | 0.82 | PARP1 (0.39) | ESR1CYP26B1CYP26A1QPCTQPCTL | |
| Hydrochloric Acid SCHEMBL8563477 | 0.81 | PARP1 (0.38) | ESR1CYP26B1CYP26A1QPCTQPCTL | |
| Hydrochloric Acid SCHEMBL8559595 | 0.80 | QPCT (0.37) | ESR1QPCTQPCTL | |
| SCHEMBL8559323 | 0.80 | PARP1 (0.37) | ESR1QPCTQPCTL | |
| SCHEMBL8560495 | 0.80 | HTR6 (0.43) | ESR1QPCTQPCTLPPARDPPARA | |
| SCHEMBL8562965 | 0.79 | ESR1 (0.44) | ESR1CYP26B1CYP26A1CYP3A4PPARD | |
| Hydrochloric Acid SCHEMBL8565143 | 0.79 | QPCT (0.37) | ESR1CYP26B1CYP26A1QPCTQPCTL |
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 |
|---|---|---|---|---|---|---|---|
| US-5827849-A | HAVING INHIBITORY EFFECT ON INFLAMMATION AND BONE DEGRADATION, ANTITHROMBOTIC, ANTIAGGREGATORY AND TUMOR- OR METASTASIS-INHIBITING EFFECT | KARL THOMAE GMBH (DE) | 1998-10-27 | — | — | US | disclosed |