Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.31 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL9074979 | 0.93 | CYP1A2 (0.38) | CYP1A2CYP2D6TRPA1TRPV1 | |
| SCHEMBL7484113 | 0.85 | — | — | |
| Hydrochloric Acid SCHEMBL4275672 | 0.82 | — | — | |
| Dimethylamine SCHEMBL1779970 | 0.82 | CYP1A2 (0.44) | CYP1A2CYP2D6 | |
| SCHEMBL8019299 | 0.76 | CYP1A2 (0.35) | CYP1A2CYP2D6 | |
| SCHEMBL8019304 | 0.76 | CYP1A2 (0.58) | CYP1A2CYP2D6 | |
| SCHEMBL898618 | 0.73 | TRPA1 (0.32) | CYP1A2CYP2D6TRPA1TRPV1 | |
| SCHEMBL899561 | 0.73 | CYP1A2 (0.76) | CYP1A2CYP2D6 | |
| SCHEMBL134494 | 0.72 | — | — | |
| SCHEMBL27916922 | 0.72 | TRPA1 (0.50) | TRPA1TRPV1 |
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 |