Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | PTK2 | Q05397 | 3/20 | 0.35 |
| ▸ | CTSD | P07339 | 1/20 | 0.34 |
| ▸ | IDH1 | O75874 | 8/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL9232111 | 0.91 | CYP2C9 (0.40) | CYP2C9PTK2IDH1MAPTHPGD | |
| SCHEMBL9544128 | 0.90 | CYP2C9 (0.41) | CYP2C9PTK2CTSDIDH1ALDH1A1 | |
| SCHEMBL9541724 | 0.89 | CYP2C9 (0.41) | CYP2C9PTK2CTSDIDH1ALDH1A1 | |
| SCHEMBL9545020 | 0.86 | CYP2C9 (0.41) | CYP2C9PTK2CTSDIDH1ALDH1A1 | |
| SCHEMBL9382421 | 0.85 | CYP2C9 (0.41) | CYP2C9PTK2CTSDIDH1ALDH1A1 | |
| SCHEMBL6474993 | 0.85 | CYP2C9 (0.38) | CYP2C9CTSDIDH1ALDH1A1MAPT | |
| SCHEMBL9529122 | 0.84 | CYP2C9 (0.41) | CYP2C9ALDH1A1MAPT | |
| SCHEMBL9286732 | 0.82 | CYP2C9 (0.38) | CYP2C9PTK2CTSDALDH1A1MAPT | |
| SCHEMBL9231523 | 0.81 | CYP2C9 (0.36) | CYP2C9PTK2CTSDALDH1A1MAPT | |
| SCHEMBL9232184 | 0.81 | CYP2C9 (0.36) | CYP2C9PTK2CTSDALDH1A1MAPT |
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-1996016959-A1 | A PROCESS FOR THE PREPARATION OF BENZIMIDAZOLE DERIVATIVES | ASTRA AKTIEBOLAG (SE) | 1996-06-06 | — | — | WO | disclosed |