Known targets — ChEMBL curated mechanism
ACHEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3APH1AAPH1BCHRM2CHRM3EZH2GRIN2AHTR1AHTR1BHTR1DHTR1FHTR3ANCSTNP2RY12PSEN1PSEN2PSENENSIGMAR1SLC6A2SLC6A3SLC6A4
The experimentally established mechanism targets of Osthole. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 3/20 | 0.97 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.97 |
| ▸ | XPO1 | O14980 | 2/20 | 0.97 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.97 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.97 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.97 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.97 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.97 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.71 |
| ▸ | HPGD | P15428 | 1/20 | 0.69 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.67 |
| ▸ | MAOA | P21397 | 1/20 | 0.67 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.67 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.58 |
| ▸ | SRD5A1 | P18405 | 2/20 | 0.56 |
| ▸ | CA9 | Q16790 | 3/20 | 0.56 |
| ▸ | LMNA | P02545 | 1/20 | 0.55 |
| ▸ | CA12 | O43570 | 1/20 | 0.52 |
| ▸ | CA1 | P00915 | 1/20 | 0.52 |
| ▸ | CA7 | P43166 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| Osthole SCHEMBL17513161 | 0.99 | PTGS2 (1.00) | PTGS2ALDH1A1XPO1ABCB1CYP3A4 | |
| Osthole SCHEMBL29595542 | 0.99 | PTGS2 (1.00) | PTGS2ALDH1A1XPO1ABCB1CYP3A4 | |
| Osthole SCHEMBL50436 | 0.99 | PTGS2 (1.00) | PTGS2ALDH1A1XPO1ABCB1CYP3A4 | |
| Osthole SCHEMBL27681201 | 0.97 | PTGS2 (0.97) | PTGS2ALDH1A1XPO1ABCB1CYP3A4 | |
| Osthole SCHEMBL27803504 | 0.95 | PTGS2 (0.92) | PTGS2ALDH1A1XPO1ABCB1CYP3A4 | |
| Osthole SCHEMBL27659943 | 0.94 | PTGS2 (0.90) | PTGS2ALDH1A1XPO1ABCB1CYP3A4 | |
| Osthole SCHEMBL28851790 | 0.89 | PTGS2 (0.82) | PTGS2ALDH1A1XPO1ABCB1CYP3A4 | |
| Osthole SCHEMBL2792922 | 0.89 | PTGS2 (0.82) | PTGS2ALDH1A1XPO1ABCB1CYP3A4 | |
| SCHEMBL50304 | 0.87 | PTGS2 (0.79) | PTGS2ALDH1A1XPO1ABCB1CYP3A4 | |
| SCHEMBL50303 | 0.87 | PTGS2 (0.79) | PTGS2ALDH1A1XPO1ABCB1CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| CN-103554075-A | New method for preparing osthol analogue | UNIV NANJING AGRICULTURAL | 2014-02-05 | — | — | CN | claimed |
| CN-103554075-B | A kind of novel method preparing osthol analogue | NANJING AGRICULTURAL UNIVERSITY (CN) | 2015-10-07 | — | — | CN | disclosed |
| CN-103554075-A | New method for preparing osthol analogue | UNIV NANJING AGRICULTURAL | 2014-02-05 | — | — | CN | disclosed |