Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 1/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.55 |
| ▸ | F2RL1 | P55085 | 1/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.51 |
| ▸ | POLB | P06746 | 1/20 | 0.51 |
| ▸ | PKM | P14618 | 2/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.50 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.50 |
| ▸ | CTBP2 | P56545 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.49 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL31116682 | 0.85 | HTT (0.63) | HTTALDH1A1CYP3A4CYP2C19SMN1; SMN2 | |
| SCHEMBL1067193 | 0.85 | HTT (0.63) | HTTALDH1A1CYP3A4CYP2C19SMN1; SMN2 | |
| SCHEMBL3628705 | 0.85 | HTT (0.68) | HTTALDH1A1CYP3A4CYP2C19F2RL1 | |
| SCHEMBL5431221 | 0.84 | HTT (0.62) | HTTALDH1A1CYP3A4CYP2C19F2RL1 | |
| SCHEMBL10577487 | 0.84 | HTT (0.62) | HTTALDH1A1F2RL1SMN1; SMN2KDM4E | |
| SCHEMBL3280882 | 0.84 | HTT (0.62) | HTTALDH1A1F2RL1SMN1; SMN2KDM4E | |
| SCHEMBL6290388 | 0.81 | HTT (0.59) | HTTALDH1A1CYP3A4CYP2C19F2RL1 | |
| SCHEMBL3175977 | 0.79 | HTT (0.61) | HTTALDH1A1CYP3A4CYP2C19F2RL1 | |
| SCHEMBL7153605 | 0.79 | HTT (0.61) | HTTALDH1A1CYP3A4CYP2C19F2RL1 | |
| SCHEMBL14274253 | 0.78 | HTT (0.65) | HTTALDH1A1CYP3A4CYP2C19SMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0312960-A2 | Method for reducing reperfusion injury with imidazol-2-thione-carboxamides | MERRELL DOW PHARMACEUTICALS INC. (US) | 1989-04-26 | — | — | EP | disclosed |