Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.69 |
| ▸ | CYP19A1 | P11511 | 7/20 | 0.64 |
| ▸ | NPC1 | O15118 | 1/20 | 0.57 |
| ▸ | POLB | P06746 | 1/20 | 0.57 |
| ▸ | FNTA | P49354 | 3/20 | 0.55 |
| ▸ | FNTB | P49356 | 3/20 | 0.55 |
| ▸ | PGGT1B | P53609 | 3/20 | 0.55 |
| ▸ | CYP11B1 | P15538 | 3/20 | 0.53 |
| ▸ | CYP11B2 | P19099 | 3/20 | 0.53 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL10942842 | 0.89 | ALDH1A1 (0.65) | ALDH1A1CYP19A1NPC1POLBFNTA | |
| SCHEMBL3807868 | 0.83 | ALDH1A1 (0.97) | ALDH1A1CYP19A1NPC1POLBFNTA | |
| SCHEMBL11008794 | 0.81 | ALDH1A1 (0.67) | ALDH1A1CYP19A1NPC1POLBTBXAS1 | |
| SCHEMBL7995820 | 0.80 | ALDH1A1 (0.62) | ALDH1A1CYP19A1NPC1POLBFNTA | |
| SCHEMBL11009515 | 0.80 | ALDH1A1 (0.62) | ALDH1A1CYP19A1NPC1POLBFNTA | |
| SCHEMBL11009648 | 0.79 | ALDH1A1 (0.60) | ALDH1A1CYP19A1NPC1POLBFNTA | |
| SCHEMBL11011312 | 0.78 | ALDH1A1 (0.58) | ALDH1A1CYP19A1NPC1POLBFNTA | |
| SCHEMBL10944776 | 0.77 | NPC1 (0.60) | ALDH1A1CYP19A1NPC1POLBFNTA | |
| SCHEMBL15399684 | 0.76 | CYP19A1 (0.87) | CYP19A1CYP11B1CYP11B2TBXAS1 | |
| SCHEMBL10824449 | 0.76 | ALDH1A1 (0.47) | ALDH1A1CYP19A1NPC1POLBCYP11B1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-1129102-A | Catechol diether compounds as inhibitors of TNF release | PFIZER (US) | 1996-08-21 | — | — | CN | disclosed |