Predicted protein targets (top 2)
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 | |
|---|---|---|---|---|
| SCHEMBL6443991 | 0.94 | CYP1A2 (0.39) | CYP1A2CYP2D6 | |
| Hydrochloric Acid SCHEMBL8537869 | 0.91 | CYP1A2 (0.38) | CYP1A2CYP2D6 | |
| SCHEMBL7484113 | 0.84 | — | — | |
| Hydrochloric Acid SCHEMBL4275672 | 0.82 | — | — | |
| SCHEMBL9074979 | 0.82 | CYP1A2 (0.38) | CYP1A2CYP2D6 | |
| SCHEMBL3626821 | 0.77 | CYP1A2 (0.32) | CYP1A2CYP2D6 | |
| Dimethylamine SCHEMBL8019309 | 0.76 | CYP1A2 (0.34) | CYP1A2CYP2D6 | |
| Hydrochloric Acid SCHEMBL1671539 | 0.75 | CYP1A2 (0.31) | CYP1A2CYP2D6 | |
| SCHEMBL8019304 | 0.75 | CYP1A2 (0.58) | CYP1A2CYP2D6 | |
| Hydrochloric Acid SCHEMBL6017809 | 0.72 | CYP1A2 (0.32) | CYP1A2CYP2D6 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6143895-A | TETRAHYDROQUINOLINONE COMPOUND | TREGA BIOSCIENCES, INC. (US) | 2000-11-07 | — | — | US | disclosed |
| EP-0983507-A1 | TRICYCLIC TETRAHYDROQUINOLINE DERIVATIVES AND TRICYCLIC TETRAHYDROQUINOLINE COMBINATORIAL LIBRARIES | Trega Biosciences, Inc. (US) | 2000-03-08 | — | — | EP | disclosed |
| US-5925527-A | SCREENING NEW PHARMACEUTICALS | TREGA BIOSCIENCES, INC. (US) | 1999-07-20 | — | — | US | disclosed |
| WO-1998034111-A1 | TRICYCLIC TETRAHYDROQUINOLINE DERIVATIVES AND TRICYCLIC TETRAHYDROQUINOLINE COMBINATORIAL LIBRARIES | TREGA BIOSCIENCES, INC. (US) | 1998-08-06 | — | — | WO | disclosed |