Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 1/20 | 0.58 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.57 |
| ▸ | PPARA | Q07869 | 2/20 | 0.55 |
| ▸ | TOP2A | P11388 | 1/20 | 0.54 |
| ▸ | LTA4H | P09960 | 2/20 | 0.54 |
| ▸ | MEN1 | O00255 | 2/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.54 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.54 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.54 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.53 |
| ▸ | TRPV1 | Q8NER1 | 4/20 | 0.52 |
| ▸ | TP53 | P04637 | 1/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.52 |
| ▸ | MAPT | P10636 | 1/20 | 0.52 |
| ▸ | HPGD | P15428 | 1/20 | 0.52 |
| ▸ | MTOR | P42345 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.51 |
| ▸ | PPARG | P37231 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL20739828 | 1.00 | PTGS1 (0.58) | PTGS1EPHX2PPARATOP2ALTA4H | |
| SCHEMBL951307 | 0.94 | PTGS1 (0.64) | PTGS1EPHX2PPARATOP2AMEN1 | |
| SCHEMBL20723822 | 0.94 | PTGS1 (0.64) | PTGS1EPHX2PPARATOP2AMEN1 | |
| SCHEMBL20723701 | 0.94 | PTGS1 (0.64) | PTGS1EPHX2PPARATOP2AMEN1 | |
| SCHEMBL20723797 | 0.94 | PTGS1 (0.64) | PTGS1EPHX2PPARATOP2AMEN1 | |
| SCHEMBL20739903 | 0.94 | PTGS1 (0.64) | PTGS1EPHX2PPARATOP2AMEN1 | |
| SCHEMBL20723700 | 0.93 | PTGS1 (0.66) | PTGS1EPHX2PPARATOP2AMEN1 | |
| SCHEMBL20723823 | 0.90 | PTGS1 (0.64) | PTGS1PPARATOP2AMEN1CYP3A4 | |
| SCHEMBL11613528 | 0.90 | PTGS1 (0.67) | PTGS1PPARATOP2AMEN1CYP3A4 | |
| SCHEMBL31518883 | 0.89 | ALOX15 (0.66) | PTGS1EPHX2PPARATOP2AMEN1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5344994-A | Process for the preparation of coniferyl aldehyde | HAARMANN & REIMER GMBH (DE) | 1994-09-06 | — | — | US | claimed |
| WO-2019030643-A1 | COMPOSITIONS OF EUGENOL DERIVATIVES FOR TREATMENT OF VISCERAL LEISHMANIASIS | FOUNDATION FOR NEGLECTED DISEASE RESEARCH (IN) | 2019-02-14 | — | — | WO | disclosed |
| US-5344994-A | Process for the preparation of coniferyl aldehyde | HAARMANN & REIMER GMBH (DE) | 1994-09-06 | — | — | US | disclosed |