Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.41 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.41 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.38 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.38 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.38 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.38 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.38 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.38 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.38 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.38 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.38 |
| ▸ | BTK | Q06187 | 1/20 | 0.38 |
| ▸ | NQO2 | P16083 | 1/20 | 0.37 |
| ▸ | EGFR | P00533 | 1/20 | 0.37 |
| ▸ | GSTP1 | P09211 | 1/20 | 0.35 |
| ▸ | CYP11B1 | P15538 | 3/20 | 0.35 |
| ▸ | CYP11B2 | P19099 | 3/20 | 0.35 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.35 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL4452628 | 0.69 | CYP2A6 (0.47) | CYP1A2CYP2A6GRIN2DGRIN3BGRIN1 | |
| Anthracene SCHEMBL29011110 | 0.68 | CYP19A1 (0.50) | CYP1A2CYP2A6PDPK1CYP11B1CYP11B2 | |
| Hydrochloric Acid SCHEMBL5243070 | 0.67 | CYP2A6 (0.44) | CYP1A2CYP2A6GRIN2DGRIN3BGRIN1 | |
| SCHEMBL7905240 | 0.66 | GSTP1 (0.48) | CYP1A2CYP2A6GRIN2DGRIN3BGRIN1 | |
| SCHEMBL445029 | 0.65 | CLK1 (0.52) | CYP1A2CYP11B1CYP11B2CYP17A1CYP19A1 | |
| SCHEMBL7427641 | 0.64 | CYP1A2 (0.48) | CYP1A2CYP2A6PDPK1BTKEGFR | |
| Naphthalene SCHEMBL7327012 | 0.64 | TNF (0.48) | CYP1A2CYP2A6EGFRCYP11B1CYP11B2 | |
| Isoquinoline SCHEMBL1536317 | 0.64 | TNF (0.48) | CYP1A2CYP2A6EGFRCYP11B1CYP11B2 | |
| Isoquinoline SCHEMBL29355164 | 0.64 | TNF (0.48) | CYP1A2CYP2A6EGFRCYP11B1CYP11B2 | |
| Isoquinoline SCHEMBL9654 | 0.64 | TNF (0.48) | CYP1A2CYP2A6EGFRCYP11B1CYP11B2 |
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-5210082-A | 2-BENZAZEPINES WITH 5- AND 6-MEMBERED HETEROCYCLIC RINGS TO TREAT PAIN AND ANXIETY DISORDERS | MERCK & CO., INC. (US) | 1993-05-11 | — | — | US | disclosed |