Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 3/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | CASP1 | P29466 | 1/20 | 0.32 |
| ▸ | CASP7 | P55210 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.30 |
| ▸ | MAPT | P10636 | 2/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 2/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.30 |
| ▸ | ACHE | P22303 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL2405953 | 1.00 | TRPA1 (0.32) | TRPA1CYP3A4ALOX15CASP1CASP7 | |
| SCHEMBL8134246 | 0.79 | — | — | |
| SCHEMBL206344 | 0.79 | TRPA1 (0.34) | TRPA1 | |
| SCHEMBL8134253 | 0.79 | — | — | |
| SCHEMBL686917 | 0.78 | — | — | |
| SCHEMBL18425441 | 0.74 | — | — | |
| SCHEMBL11150811 | 0.73 | KDM4E (0.37) | ALOX15KDM4EMAPTALDH1A1HPGD | |
| SCHEMBL211612 | 0.72 | GAA (0.36) | MAPTGAA | |
| SCHEMBL38113 | 0.72 | TRPA1 (0.41) | TRPA1 | |
| SCHEMBL18699163 | 0.71 | TRPA1 (0.37) | TRPA1KDM4EALDH1A1HPGD |
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 20 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0089743-B1 | NOVEL 2,5-BENZODIAZOCINES AND SALTS THEREOF HAVING PHARMACEUTICAL ACTIVITY | SANWA KAGAKU KENKYUSHO CO., LTD. (JP) | 1986-12-10 | — | — | EP | claimed |
| US-4435392-A | 2,5-Benzodiazocine derivatives and salts thereof, as well as pharmaceutical agent comprising as effective component at least one of the derivatives and salts | SANWA KAGAKU KENKYUSHO CO. LTD. (JP) | 1984-03-06 | — | — | US | claimed |
| EP-0089743-A1 | Novel 2,5-benzodiazocines and salts thereof having pharmaceutical activity | SANWA KAGAKU KENKYUSHO CO., LTD. (JP) | 1983-09-28 | — | — | EP | claimed |
| EP-2542545-A1 | INHIBITORS OF HEPATITIS C VIRUS NS5B POLYMERASE | Merck Sharp & Dohme Corp. (US) | 2013-01-09 | — | — | EP | disclosed |
| WO-2011106992-A1 | INHIBITORS OF HEPATITIS C VIRUS NS5B POLYMERASE | MERCK SHARP & DOHME CORP. (US) | 2011-09-09 | — | — | WO | disclosed |
| US-5268372-A | Where nitrogen in position 2 and 5 are connected by a methylene bridge | STERLING WINTHROP INC. (US) | 1993-12-07 | — | — | US | disclosed |
| US-5268372-A | Where nitrogen in position 2 and 5 are connected by a methylene bridge | STERLING WINTHROP INC. (US) | 1993-12-07 | — | — | US | disclosed |
| US-5268372-A | Where nitrogen in position 2 and 5 are connected by a methylene bridge | STERLING WINTHROP INC. (US) | 1993-12-07 | — | — | US | disclosed |
| US-5206231-A | 2,5-benzodiazocine antiarrhythmic agents | STERLING DRUG INC. (US) | 1993-04-27 | — | — | US | disclosed |
| US-5206231-A | 2,5-benzodiazocine antiarrhythmic agents | STERLING DRUG INC. (US) | 1993-04-27 | — | — | US | disclosed |
| US-5206231-A | 2,5-benzodiazocine antiarrhythmic agents | STERLING DRUG INC. (US) | 1993-04-27 | — | — | US | disclosed |
| EP-0089743-B1 | NOVEL 2,5-BENZODIAZOCINES AND SALTS THEREOF HAVING PHARMACEUTICAL ACTIVITY | SANWA KAGAKU KENKYUSHO CO., LTD. (JP) | 1986-12-10 | — | — | EP | disclosed |
| EP-0089743-B1 | NOVEL 2,5-BENZODIAZOCINES AND SALTS THEREOF HAVING PHARMACEUTICAL ACTIVITY | SANWA KAGAKU KENKYUSHO CO., LTD. (JP) | 1986-12-10 | — | — | EP | disclosed |
| US-4435392-A | 2,5-Benzodiazocine derivatives and salts thereof, as well as pharmaceutical agent comprising as effective component at least one of the derivatives and salts | SANWA KAGAKU KENKYUSHO CO. LTD. (JP) | 1984-03-06 | — | — | US | disclosed |
| US-4435392-A | 2,5-Benzodiazocine derivatives and salts thereof, as well as pharmaceutical agent comprising as effective component at least one of the derivatives and salts | SANWA KAGAKU KENKYUSHO CO. LTD. (JP) | 1984-03-06 | — | — | US | disclosed |
| US-4435392-A | 2,5-Benzodiazocine derivatives and salts thereof, as well as pharmaceutical agent comprising as effective component at least one of the derivatives and salts | SANWA KAGAKU KENKYUSHO CO. LTD. (JP) | 1984-03-06 | — | — | US | disclosed |
| EP-0089743-A1 | Novel 2,5-benzodiazocines and salts thereof having pharmaceutical activity | SANWA KAGAKU KENKYUSHO CO., LTD. (JP) | 1983-09-28 | — | — | EP | disclosed |
| EP-0089743-A1 | Novel 2,5-benzodiazocines and salts thereof having pharmaceutical activity | SANWA KAGAKU KENKYUSHO CO., LTD. (JP) | 1983-09-28 | — | — | EP | disclosed |
| EP-0089743-A1 | Novel 2,5-benzodiazocines and salts thereof having pharmaceutical activity | SANWA KAGAKU KENKYUSHO CO., LTD. (JP) | 1983-09-28 | — | — | EP | disclosed |
| US-3994920-A | APPETITE SUPPRESSANT, ANTIDEPRESSANT | AMERICAN HOME PRODUCTS CORPORATION (US) | 1976-11-30 | — | — | US | disclosed |