Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.37 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.36 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.36 |
| ▸ | DAO | P14920 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | HCRTR1 | O43613 | 2/20 | 0.36 |
| ▸ | HCRTR2 | O43614 | 2/20 | 0.36 |
| ▸ | IAPP | P10997 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CLCN2 | P51788 | 1/20 | 0.35 |
| ▸ | PPARG | P37231 | 1/20 | 0.35 |
| ▸ | PPARA | Q07869 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL8095512 | 0.90 | BID (0.42) | ALOX15TSHRIAPPHTTCYP3A4 | |
| SCHEMBL8087557 | 0.88 | BID (0.48) | ALOX15PPARGPPARABIDBCL2L1 | |
| SCHEMBL1892417 | 0.87 | GABRA1 (0.45) | ALDH1A1ALOX15MRGPRX4GABRA1GABRB2 | |
| SCHEMBL8094232 | 0.87 | BID (0.50) | ALOX15PPARGPPARABIDBCL2L1 | |
| SCHEMBL8093905 | 0.87 | BID (0.50) | ALOX15PPARGPPARABIDBCL2L1 | |
| SCHEMBL8095850 | 0.87 | BID (0.50) | ALOX15PPARGPPARABIDBCL2L1 | |
| SCHEMBL28642784 | 0.85 | GABRA1 (0.39) | ALDH1A1GABRA1GABRB2DAOTSHR | |
| SCHEMBL2362450 | 0.84 | MRGPRX4 (0.47) | ALDH1A1ALOX15MRGPRX4TSHRHTT | |
| SCHEMBL22620361 | 0.84 | PRKCI (0.42) | ALDH1A1GABRA1GABRB2DAOTSHR | |
| SCHEMBL3180114 | 0.83 | ALDH1A1 (0.45) | ALDH1A1ALOX15TSHRHCRTR1HCRTR2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2016044390-A1 | BORON-CONTAINING DIACYLHYDRAZINE COMPOUNDS | INTREXON CORPORATION (US) | 2016-03-24 | — | — | WO | disclosed |
| EP-0708077-B1 | Diamino compounds and methods for preparing them | CHISSO CORP (JP) | 2000-12-27 | — | — | EP | disclosed |
| US-5663440-A | Diamino compounds and methods for preparing them | CHISSO CORPORATION (JP) | 1997-09-02 | — | — | US | disclosed |
| EP-0708077-A1 | Diamino compounds and methods for preparing them | CHISSO CORPORATION (JP) | 1996-04-24 | — | — | EP | disclosed |