Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | VDR | P11473 | 6/20 | 0.35 |
| ▸ | PPARD | Q03181 | 9/20 | 0.34 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.34 |
| ▸ | PDE2A | O00408 | 8/20 | 0.33 |
| ▸ | PPARG | P37231 | 4/20 | 0.32 |
| ▸ | ESR1 | P03372 | 3/20 | 0.32 |
| ▸ | THRA | P10827 | 3/20 | 0.32 |
| ▸ | THRB | P10828 | 3/20 | 0.32 |
| ▸ | RXRA | P19793 | 3/20 | 0.32 |
| ▸ | PPARA | Q07869 | 3/20 | 0.32 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.32 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL7662468 | 0.82 | VDR (0.41) | VDRPPARDFFAR1PPARGESR1 | |
| SCHEMBL4435927 | 0.70 | PPARD (0.44) | VDRPPARDPPARGESR1THRA | |
| SCHEMBL6075822 | 0.66 | TRPV3 (0.32) | — | |
| SCHEMBL16855833 | 0.59 | CYP1A2 (0.44) | ESR1 | |
| SCHEMBL15131365 | 0.59 | L3MBTL1 (0.46) | FFAR1ESR1THRATHRB | |
| SCHEMBL28158410 | 0.59 | TSHR (0.40) | ESR1 | |
| SCHEMBL5716618 | 0.58 | CTSL (0.44) | ESR1ESR2 | |
| SCHEMBL6457941 | 0.57 | CTSL (0.37) | — | |
| SCHEMBL8297105 | 0.57 | LTA4H (0.38) | FFAR1 | |
| SCHEMBL16855828 | 0.57 | CYP1A2 (0.42) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6462068-B1 | CARDIOVASCULAR DISEASES | BAYER AKTIENGESELLSCHAFT (DE) | 2002-10-08 | — | — | US | disclosed |
| US-6414009-B1 | CARDIOVASCULAR DISORDERS; ANTICOAGULANTS | BAYER AKTIENGESELLSCHAFT (DE) | 2002-07-02 | — | — | US | disclosed |
| US-6410740-B1 | CYCLIZATION OF THE CORRESPONDING AMIDE | BAYER AKTIENGESELLSCHAFT (DE) | 2002-06-25 | — | — | US | disclosed |
| US-6387940-B1 | CARDIOVASCULAR DISORDERS | BAYER AKTIENGESELLSCHAFT (DE) | 2002-05-14 | — | — | US | disclosed |
| US-6166027-A | Heterocyclylmethyl-substituted pyrazole derivatives and their use for treating cardiovascular diseases | BAYER AKTIENGESELLSCHAFT (DE) | 2000-12-26 | — | — | US | disclosed |