Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 5/20 | 0.50 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.50 |
| ▸ | KEAP1 | Q14145 | 7/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | SLC9A1 | P19634 | 1/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
| ▸ | FAAH | O00519 | 1/20 | 0.33 |
| ▸ | KMO | O15229 | 1/20 | 0.33 |
| ▸ | NFE2L2 | Q16236 | 3/20 | 0.32 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.32 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.32 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.31 |
| ▸ | BRD4 | O60885 | 1/20 | 0.31 |
| ▸ | BRD2 | P25440 | 1/20 | 0.31 |
| ▸ | BRD3 | Q15059 | 1/20 | 0.31 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL8884360 | 0.75 | CYP19A1 (0.60) | CYP19A1CYP11B1KEAP1NPC1RAB9A | |
| SCHEMBL9026711 | 0.74 | CYP19A1 (0.58) | CYP19A1CYP11B1KEAP1NPC1RAB9A | |
| SCHEMBL8712817 | 0.74 | CYP19A1 (0.50) | CYP19A1CYP11B1KEAP1NPC1RAB9A | |
| SCHEMBL8714052 | 0.74 | CYP19A1 (0.55) | CYP19A1CYP11B1KEAP1NPC1RAB9A | |
| Bromide SCHEMBL8884686 | 0.73 | CYP19A1 (0.57) | CYP19A1CYP11B1KEAP1NPC1RAB9A | |
| Hydrochloric Acid SCHEMBL8710447 | 0.73 | CYP19A1 (0.54) | CYP19A1CYP11B1KEAP1NPC1RAB9A | |
| SCHEMBL14476937 | 0.71 | KEAP1 (0.53) | CYP19A1CYP11B1KEAP1NPC1RAB9A | |
| SCHEMBL3873020 | 0.69 | CYP19A1 (0.59) | CYP19A1CYP11B1KEAP1NPC1RAB9A | |
| SCHEMBL15341829 | 0.68 | CYP19A1 (0.50) | CYP19A1CYP11B1KEAP1NPC1RAB9A | |
| SCHEMBL9027055 | 0.68 | CYP19A1 (0.66) | CYP19A1CYP11B1KEAP1NPC1RAB9A |
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 |