Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TBXA2R | P21731 | 1/20 | 0.50 |
| ▸ | PTGFR | P43088 | 1/20 | 0.50 |
| ▸ | PTGER3 | P43115 | 1/20 | 0.50 |
| ▸ | PTGER2 | P43116 | 1/20 | 0.50 |
| ▸ | PTGIR | P43119 | 1/20 | 0.50 |
| ▸ | PTGDR | Q13258 | 1/20 | 0.50 |
| ▸ | IDO1 | P14902 | 3/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 3/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL11195639 | 0.82 | TAAR1 (0.50) | IDO1CYP1A2CYP2C9CYP2C19CYP3A4 | |
| SCHEMBL2097653 | 0.82 | IDO1 (0.65) | TBXA2RPTGFRPTGER3PTGER2PTGIR | |
| SCHEMBL3247616 | 0.79 | MPO (0.44) | IDO1CYP1A2CYP2C9CYP2C19CYP3A4 | |
| SCHEMBL17601958 | 0.78 | TBXA2R (0.50) | TBXA2RPTGFRPTGER3PTGER2PTGIR | |
| SCHEMBL31374856 | 0.78 | IDO1 (0.52) | TBXA2RPTGFRPTGER3PTGER2PTGIR | |
| SCHEMBL4604208 | 0.78 | KMT2A (0.48) | IDO1CYP1A2CYP2C9CYP2C19CYP3A4 | |
| SCHEMBL3301625 | 0.77 | TAAR1 (0.59) | IDO1L3MBTL1ALDH1A1LMNA | |
| SCHEMBL3295742 | 0.75 | MEN1 (0.61) | TBXA2RPTGFRPTGER3PTGER2PTGIR | |
| SCHEMBL11248603 | 0.75 | MAPT (0.57) | TBXA2RPTGFRPTGER3PTGER2PTGIR | |
| Hydrochloric Acid SCHEMBL27607304 | 0.73 | MEN1 (0.59) | TBXA2RPTGFRPTGER3PTGER2PTGIR |
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-1896419-A1 | 3,4-DIHYDROISOQUINOLINIUM SALT DERIVATIVES | HANWHA CHEMICAL CORPORATION (KR) | 2008-03-12 | — | — | EP | disclosed |
| WO-2006129978-A1 | 3,4-DIHYDROISOQUINOLINIUM SALT DERIVATIVES | HANWHA CHEMICAL CORPORATION (KR) | 2006-12-07 | — | — | WO | disclosed |