Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR2 | P34972 | 2/20 | 1.00 |
| ▸ | PPARA | Q07869 | 2/20 | 1.00 |
| ▸ | MEN1 | O00255 | 2/20 | 1.00 |
| ▸ | KMT2A | Q03164 | 2/20 | 1.00 |
| ▸ | CYP3A4 | P08684 | 7/20 | 0.50 |
| ▸ | FTH1 | P02794 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | USP2 | O75604 | 1/20 | 0.45 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.41 |
| ▸ | TAS2R46 | P59540 | 2/20 | 0.38 |
| ▸ | PKM | P14618 | 2/20 | 0.38 |
| ▸ | RECQL | P46063 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | TERT | O14746 | 1/20 | 0.38 |
| ▸ | NLRP3 | Q96P20 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.36 |
| ▸ | CASP1 | P29466 | 1/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Beta-Caryophyllene SCHEMBL4195147 | 1.00 | CNR2 (1.00) | CNR2PPARAMEN1KMT2ACYP3A4 | |
| Beta-Caryophyllene SCHEMBL3505514 | 1.00 | CNR2 (1.00) | CNR2PPARAMEN1KMT2ACYP3A4 | |
| Beta-Caryophyllene SCHEMBL113830 | 1.00 | CNR2 (1.00) | CNR2PPARAMEN1KMT2ACYP3A4 | |
| Beta-Caryophyllene SCHEMBL4195140 | 1.00 | CNR2 (1.00) | CNR2PPARAMEN1KMT2ACYP3A4 | |
| Beta-Caryophyllene SCHEMBL4195149 | 1.00 | CNR2 (1.00) | CNR2PPARAMEN1KMT2ACYP3A4 | |
| Beta-Caryophyllene SCHEMBL24774027 | 1.00 | CNR2 (1.00) | CNR2PPARAMEN1KMT2ACYP3A4 | |
| Beta-Caryophyllene SCHEMBL1866747 | 1.00 | CNR2 (1.00) | CNR2PPARAMEN1KMT2ACYP3A4 | |
| Caryophyllene SCHEMBL310637 | 1.00 | CNR2 (1.00) | CNR2PPARAMEN1KMT2ACYP3A4 | |
| Beta-Caryophyllene SCHEMBL22607973 | 1.00 | CNR2 (1.00) | CNR2PPARAMEN1KMT2ACYP3A4 | |
| Beta-Caryophyllene SCHEMBL29380416 | 1.00 | CNR2 (1.00) | CNR2PPARAMEN1KMT2ACYP3A4 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20090197949-A1 | ANTITUMOR METHODS AND COMPOSITIONS COMPRISING SESQUITERPENE DERIVATIVES | F.P.L. PHARMA, INC. (CA) | 2009-08-06 | — | — | US | disclosed |
| US-20040191342-A1 | Antitumor methods and compositions comprising sesquiterpene derivatives | F.P.L. PHARMA INC. (CA) | 2004-09-30 | — | — | US | disclosed |