Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | APEX1 | P27695 | 1/20 | 0.38 |
| ▸ | PI4KA | P42356 | 1/20 | 0.38 |
| ▸ | BLM | P54132 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | ADCY1 | Q08828 | 1/20 | 0.38 |
| ▸ | PI4K2B | Q8TCG2 | 1/20 | 0.38 |
| ▸ | PI4K2A | Q9BTU6 | 1/20 | 0.38 |
| ▸ | PI4KB | Q9UBF8 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| SCHEMBL21685611 | 0.86 | CYP2C19 (0.40) | CYP2C19CYP1A2TSHRTP53CYP2C9 | |
| SCHEMBL21685107 | 0.86 | CYP1A2 (0.44) | CYP2C19CYP1A2TSHRTP53CYP2C9 | |
| SCHEMBL25948988 | 0.85 | CYP2C19 (0.41) | CYP2C19CYP1A2TSHRTP53CYP2C9 | |
| SCHEMBL21685567 | 0.83 | MAP4K1 (0.39) | CYP2C19CYP1A2TSHRTP53CYP2C9 | |
| SCHEMBL21685168 | 0.82 | MAP4K1 (0.48) | CYP2C19CYP1A2TSHRTP53CYP2C9 | |
| SCHEMBL21685477 | 0.79 | NPC1 (0.46) | CYP2C19CYP1A2TSHRALDH1A1NPC1 | |
| SCHEMBL25948962 | 0.79 | CYP2C19 (0.43) | CYP2C19CYP1A2TSHRTP53CYP2C9 | |
| SCHEMBL21685270 | 0.78 | NPC1 (0.46) | CYP2C19CYP1A2TSHRTP53CYP2C9 | |
| SCHEMBL21684356 | 0.76 | PDE8B (0.36) | CYP2C19SMN1; SMN2YTHDC1PDE8B | |
| SCHEMBL21686012 | 0.74 | PDE8B (0.37) | CYP2C19YTHDC1PDE8B |
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-2020033784-A1 | TRANSGLUTAMINASE 2 (TG2) INHIBITORS | SITARI PHARMA, INC. (US) | 2020-02-13 | — | — | WO | disclosed |