Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | IDO1 | P14902 | 1/20 | 0.44 |
| ▸ | PLA2G7 | Q13093 | 1/20 | 0.43 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.41 |
| ▸ | MGAM | O43451 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | SI | P14410 | 1/20 | 0.40 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.40 |
| ▸ | ELANE | P08246 | 1/20 | 0.40 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.38 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | DHODH | Q02127 | 1/20 | 0.37 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.36 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | CASP3 | P42574 | 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 | |
|---|---|---|---|---|
| SCHEMBL1005238 | 0.84 | ALDH1A1 (0.57) | ALDH1A1TRPA1ELANEHPGDTSHR | |
| SCHEMBL932318 | 0.82 | IDO1 (0.50) | ALDH1A1IDO1PLA2G7HSD11B1HPGD | |
| SCHEMBL673891 | 0.82 | ALDH1A1 (0.62) | ALDH1A1TRPA1ELANEHPGDTSHR | |
| SCHEMBL34484 | 0.80 | — | — | |
| SCHEMBL30073921 | 0.80 | — | — | |
| SCHEMBL321560 | 0.80 | PLA2G7 (0.61) | ALDH1A1PLA2G7MGAMGAASI | |
| SCHEMBL5587775 | 0.78 | TRPA1 (0.62) | ALDH1A1TRPA1MGAMGAASI | |
| SCHEMBL8819360 | 0.78 | P2RX7 (0.46) | IDO1PLA2G7MGAMGAASI | |
| SCHEMBL13378358 | 0.78 | ALDH1A1 (0.46) | ALDH1A1IDO1PLA2G7MGAMGAA | |
| SCHEMBL30238150 | 0.78 | TRPA1 (0.62) | ALDH1A1TRPA1MGAMGAASI |
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 |
|---|---|---|---|---|---|---|---|
| EP-1874750-A1 | DIHYDROBENZOFURANYL ALKANAMINE DERIVATIVES AS 5HT2C AGONISTS | Wyeth Incoporated (US) | 2008-01-09 | — | — | EP | disclosed |
| WO-2007030150-A1 | DIHYDROBENZOFURANYL ALKANAMINE DERIVATIVES AS 5HT2C AGONISTS | WYETH (US) | 2007-03-15 | — | — | WO | disclosed |