Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTNNB1 | P35222 | 3/20 | 0.47 |
| ▸ | WNT3A | P56704 | 3/20 | 0.47 |
| ▸ | FAAH | O00519 | 4/20 | 0.41 |
| ▸ | SMYD3 | Q9H7B4 | 2/20 | 0.40 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.38 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | KIF11 | P52732 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL15932124 | 0.87 | CTNNB1 (0.46) | CTNNB1WNT3AFAAHSMYD3MRGPRX4 | |
| SCHEMBL31481061 | 0.83 | CTNNB1 (0.47) | CTNNB1WNT3AFAAHSMYD3MRGPRX4 | |
| SCHEMBL29127892 | 0.81 | CTNNB1 (0.52) | CTNNB1WNT3AFAAHMRGPRX4 | |
| SCHEMBL28664343 | 0.81 | CYP4Z1 (0.45) | CTNNB1WNT3AFAAHMRGPRX4CYP2D6 | |
| SCHEMBL80862 | 0.81 | CTNNB1 (0.41) | CTNNB1WNT3AFAAHMRGPRX4ROCK2 | |
| SCHEMBL80920 | 0.79 | FAAH (0.40) | CTNNB1WNT3AFAAHMRGPRX4ROCK2 | |
| SCHEMBL22657669 | 0.77 | CTNNB1 (0.43) | CTNNB1WNT3AFAAHMRGPRX4KDM4E | |
| SCHEMBL1971747 | 0.77 | TAAR1 (0.53) | CTNNB1WNT3AFAAHSMYD3KDM4E | |
| Hydrochloric Acid SCHEMBL4511238 | 0.76 | TAAR1 (0.51) | CTNNB1WNT3AFAAHSMYD3KDM4E | |
| SCHEMBL25264374 | 0.75 | GRIK1 (0.49) | CTNNB1WNT3AFAAHSMYD3MRGPRX4 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011006935-A2 | TETRAZOLE DERIVATIVES | MERCK SERONO S.A. (CH) | 2011-01-20 | — | — | WO | disclosed |