Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 | P31645 | 1/20 | 0.43 |
| ▸ | CYP19A1 | P11511 | 4/20 | 0.42 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | KEAP1 | Q14145 | 3/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 2/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | SLC9A1 | P19634 | 1/20 | 0.36 |
| ▸ | KMO | O15229 | 1/20 | 0.35 |
| ▸ | CCNC | P24863 | 1/20 | 0.35 |
| ▸ | CDK8 | P49336 | 1/20 | 0.35 |
| ▸ | FAAH | O00519 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.32 |
| ▸ | GRM2 | Q14416 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL8710121 | 0.99 | SLC6A4 (0.43) | SLC6A4CYP19A1CYP11B1TDP1KEAP1 | |
| SCHEMBL5990970 | 0.78 | CYP19A1 (0.40) | CYP19A1KEAP1KMT2ASLC9A1 | |
| SCHEMBL8712819 | 0.74 | NPC1 (0.42) | SLC6A4CYP19A1CYP11B1TDP1KEAP1 | |
| SCHEMBL14476937 | 0.74 | KEAP1 (0.53) | SLC6A4CYP19A1CYP11B1KEAP1KDM4E | |
| SCHEMBL8445272 | 0.73 | SLC9A1 (0.48) | SLC6A4CYP19A1CYP11B1TDP1KEAP1 | |
| SCHEMBL22862868 | 0.73 | KEAP1 (0.48) | SLC6A4CYP19A1CYP11B1KEAP1KDM4E | |
| SCHEMBL29975783 | 0.73 | SLC9A1 (0.48) | SLC6A4CYP19A1CYP11B1KEAP1KDM4E | |
| SCHEMBL282111 | 0.73 | SLC9A1 (0.48) | SLC6A4CYP19A1CYP11B1KEAP1KDM4E | |
| SCHEMBL29490311 | 0.73 | SLC9A1 (0.48) | SLC6A4CYP19A1CYP11B1TDP1KEAP1 | |
| SCHEMBL8710075 | 0.72 | NPC1 (0.44) | SLC6A4CYP19A1CYP11B1TDP1KEAP1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5746840-A | Process for preparing enantiomerically pure 6-{4-chlorophenyl) (1 H-1,2,4-triazol-1-YL) methyl}-1-methyl-1 H-benzotriazole | JANSSEN PHARMACEUTICA, N.V. (BE) | 1998-05-05 | — | — | US | disclosed |