Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.48 |
| ▸ | HTR2C | P28335 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | DRD2 | P14416 | 2/20 | 0.41 |
| ▸ | DRD1 | P21728 | 2/20 | 0.41 |
| ▸ | DRD4 | P21917 | 1/20 | 0.41 |
| ▸ | DRD5 | P21918 | 1/20 | 0.41 |
| ▸ | DRD3 | P35462 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | PNMT | P11086 | 1/20 | 0.38 |
| ▸ | CD44 | P16070 | 1/20 | 0.38 |
| ▸ | MAOB | P27338 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | ANPEP | P15144 | 3/20 | 0.35 |
| ▸ | CES1 | P23141 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.34 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.34 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL3978633 | 0.90 | CYP1A2 (0.46) | CYP2A6HTR2CTSHRDRD2DRD1 | |
| SCHEMBL28358022 | 0.87 | CYP1A2 (0.43) | CYP2A6HTR2CTSHRDRD2DRD1 | |
| SCHEMBL250734 | 0.76 | CYP2A6 (0.65) | CYP2A6HTR2CTSHRDRD2DRD1 | |
| SCHEMBL8666004 | 0.73 | CYP1A2 (0.56) | CYP2A6HTR2CTSHRDRD2DRD1 | |
| SCHEMBL4465325 | 0.72 | TSHR (0.71) | CYP2A6HTR2CTSHRDRD2DRD1 | |
| SCHEMBL34906 | 0.72 | — | — | |
| SCHEMBL33555 | 0.72 | — | — | |
| SCHEMBL29351986 | 0.72 | — | — | |
| Water SCHEMBL1168306 | 0.69 | — | — | |
| Ammonia Solution, Strong SCHEMBL330529 | 0.69 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0056617-B1 | CYCLOHEPTENE DERIVATIVES, PROCESS AND INTERMEDIATES FOR THEIR PREPARATION, AND PHARMCEUTICALS CONTAINING THEM | F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) | 1985-11-13 | — | — | EP | claimed |
| EP-0056617-A2 | Cycloheptene derivatives, process and intermediates for their preparation, and pharmceuticals containing them | F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) | 1982-07-28 | — | — | EP | claimed |
| US-4691040-A | ANTIHISTAMINES, ANTIALLERGENS, HALIDES, SULFONATES, PYRROLIDINE | HOFFMANN-LA ROCHE INC. (US) | 1987-09-01 | — | — | US | disclosed |
| EP-0056617-B1 | CYCLOHEPTENE DERIVATIVES, PROCESS AND INTERMEDIATES FOR THEIR PREPARATION, AND PHARMCEUTICALS CONTAINING THEM | F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) | 1985-11-13 | — | — | EP | disclosed |
| US-4513002-A | ATIALLERGENS;ANTIHISTAMINES | HOFFMANN-LA ROCHE INC. (US) | 1985-04-23 | — | — | US | disclosed |
| EP-0056617-A2 | Cycloheptene derivatives, process and intermediates for their preparation, and pharmceuticals containing them | F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) | 1982-07-28 | — | — | EP | disclosed |