Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 5/20 | 0.47 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.47 |
| ▸ | GSTP1 | P09211 | 1/20 | 0.46 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.44 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.44 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.44 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.44 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.44 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.44 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.44 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.44 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.44 |
| ▸ | CES2 | O00748 | 1/20 | 0.42 |
| ▸ | CES1 | P23141 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | CA1 | P00915 | 2/20 | 0.42 |
| ▸ | CA2 | P00918 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
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 SCHEMBL5243070 | 0.97 | CYP2A6 (0.44) | CYP2A6ALOX12GSTP1GRIN2DGRIN3B | |
| Anthracene SCHEMBL5713428 | 0.73 | CYP2A6 (0.73) | CYP2A6ALOX12GSTP1CES2CES1 | |
| Naphthalene SCHEMBL28219404 | 0.73 | CYP2A6 (0.73) | CYP2A6ALOX12GSTP1GRIN2DGRIN3B | |
| Naphthalene SCHEMBL27886370 | 0.73 | CYP2A6 (0.73) | CYP2A6ALOX12GSTP1GRIN2DGRIN3B | |
| Anthracene SCHEMBL3187575 | 0.73 | CYP2A6 (0.73) | CYP2A6ALOX12GSTP1CES2CES1 | |
| SCHEMBL7905240 | 0.73 | GSTP1 (0.48) | CYP2A6ALOX12GSTP1GRIN2DGRIN3B | |
| SCHEMBL6302567 | 0.71 | CYP2A6 (0.57) | CYP2A6ALOX12GSTP1CES2CES1 | |
| SCHEMBL29538674 | 0.71 | CYP2A6 (0.57) | CYP2A6ALOX12GSTP1CES2CES1 | |
| Anthracene SCHEMBL17912426 | 0.70 | CYP2A6 (0.67) | CYP2A6ALOX12CES2CES1CYP1A2 | |
| SCHEMBL5574323 | 0.70 | CYP2A6 (0.54) | CYP2A6ALOX12CYP1A2CA1CA2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2131657-A1 | SUBSTITUTED BENZODIAZEPINONES, BENZOXAZEPINONES AND BENZOTHIAZEPINONES AS SODIUM CHANNEL BLOCKERS | Merck & Co., Inc. (US) | 2009-12-16 | — | — | EP | disclosed |
| WO-2008106077-A1 | SUBSTITUTED BENZODIAZEPINONES, BENZOXAZEPINONES AND BENZOTHIAZEPINONES AS SODIUM CHANNEL BLOCKERS | MERCK & CO., INC. (US) | 2008-09-04 | — | — | WO | disclosed |