Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.55 |
| ▸ | TSHR | P16473 | 2/20 | 0.55 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.55 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.49 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.47 |
| ▸ | HTR6 | P50406 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | CFD | P00746 | 1/20 | 0.44 |
| ▸ | NOS1 | P29475 | 4/20 | 0.44 |
| ▸ | NOS2 | P35228 | 4/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | NOS3 | P29474 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL2545099 | 0.83 | ALDH1A1 (0.61) | TSHRLOXL2CFDALDH1A1SMN1; SMN2 | |
| SCHEMBL28032259 | 0.82 | CYP3A4 (0.57) | CYP3A4TSHRALOX5LOXL2GAA | |
| Hydrochloric Acid SCHEMBL1127877 | 0.81 | ALDH1A1 (0.59) | TSHRLOXL2CFDALDH1A1CYP1A2 | |
| SCHEMBL20027769 | 0.77 | HTR6 (0.47) | CYP3A4LOXL2ENPP2HTR6CFD | |
| SCHEMBL5708790 | 0.77 | ALDH1A1 (0.69) | CYP3A4TSHRALOX5GAAALDH1A1 | |
| SCHEMBL19119342 | 0.77 | LOXL2 (0.49) | CYP3A4TSHRLOXL2ENPP2HTR6 | |
| SCHEMBL28141068 | 0.76 | MTNR1A (0.61) | CYP3A4TSHRLOXL2HTR6CFD | |
| SCHEMBL8648511 | 0.75 | GAA (0.76) | CYP3A4TSHRALOX5GAAALDH1A1 | |
| SCHEMBL3003205 | 0.74 | CFD (0.59) | TSHRLOXL2ENPP2HTR6GAA | |
| SCHEMBL2557430 | 0.74 | CFD (0.55) | TSHRLOXL2ENPP2HTR6GAA |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104945403-A | Tetrahydrobenzo [ e ] [1,2,4] triaza compounds and preparation method thereof | UNIV DALIAN TECH | 2015-09-30 | — | — | CN | disclosed |