Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.58 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.58 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.49 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.48 |
| ▸ | ECE1 | P42892 | 1/20 | 0.46 |
| ▸ | ERCC1 | P07992 | 1/20 | 0.45 |
| ▸ | ERCC4 | Q92889 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.43 |
| ▸ | PSMB8 | P28062 | 1/20 | 0.43 |
| ▸ | PSMB5 | P28074 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | FFAR2 | O15552 | 1/20 | 0.43 |
| ▸ | GLS | O94925 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL12330584 | 1.00 | CYP1A2 (0.58) | CYP1A2CYP3A4CYP2C9NAPRTEPHX2 | |
| SCHEMBL12401390 | 0.88 | CYP1A2 (0.57) | CYP1A2CYP3A4CYP2C9NAPRTEPHX2 | |
| SCHEMBL12401076 | 0.88 | CYP1A2 (0.57) | CYP1A2CYP3A4CYP2C9NAPRTEPHX2 | |
| SCHEMBL15219639 | 0.87 | CYP1A2 (0.50) | CYP1A2CYP3A4CYP2C9ALDH1A1MAPT | |
| SCHEMBL12467243 | 0.87 | CYP1A2 (0.56) | CYP1A2CYP3A4CYP2C9NAPRTEPHX2 | |
| SCHEMBL12467076 | 0.87 | CYP1A2 (0.56) | CYP1A2CYP3A4CYP2C9NAPRTEPHX2 | |
| SCHEMBL14943683 | 0.83 | MEN1 (0.55) | CYP1A2CYP3A4CYP2C9PSMB8PSMB5 | |
| SCHEMBL16330242 | 0.82 | ALDH1A1 (0.55) | LMNAALDH1A1MAPTHTTPKM | |
| SCHEMBL14943743 | 0.81 | CYP3A4 (0.54) | CYP3A4LMNAALDH1A1MAPTHTT | |
| SCHEMBL24011470 | 0.80 | CYP1A2 (0.64) | CYP1A2CYP3A4CYP2C9NAPRTEPHX2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2631238-A1 | Spirocyclic inhibitors of serine proteases for the treatment of hcv infections | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2013-08-28 | — | — | EP | disclosed |
| US-7964624-B1 | Inhibitors of serine proteases | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-06-21 | — | — | US | disclosed |