Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | MITF | O75030 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 3/20 | 0.33 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.33 |
| ▸ | CASP7 | P55210 | 1/20 | 0.33 |
| ▸ | CASP6 | P55212 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | GRK6 | P43250 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL19279017 | 0.75 | ALDH1A1 (0.37) | ALDH1A1MITFMAPTKMT2AL3MBTL1 | |
| SCHEMBL665096 | 0.72 | TDP1 (0.34) | ALDH1A1MAPTCASP6 | |
| SCHEMBL3965790 | 0.72 | GAA (0.42) | ALDH1A1MITFHTTMAPTKMT2A | |
| SCHEMBL8529384 | 0.68 | PKM (0.34) | ALDH1A1PKMMAPT | |
| Azomycin SCHEMBL28353208 | 0.68 | TBXAS1 (0.38) | ALDH1A1MAPTFFAR3KMT2A | |
| SCHEMBL9761658 | 0.68 | ALDH1A1 (0.38) | ALDH1A1HTTMAPTKMT2AL3MBTL1 | |
| SCHEMBL64072 | 0.68 | CYP3A4 (0.33) | ALDH1A1MAPTKMT2APOLB | |
| SCHEMBL28920099 | 0.68 | ALDH1A1 (0.33) | ALDH1A1HTTMAPTKMT2AL3MBTL1 | |
| Nitric Acid SCHEMBL27938217 | 0.67 | ALDH1A1 (0.35) | ALDH1A1 | |
| SCHEMBL5310321 | 0.67 | NPSR1 (0.39) | ALDH1A1HTTMAPTKMT2APOLB |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0983507-A1 | TRICYCLIC TETRAHYDROQUINOLINE DERIVATIVES AND TRICYCLIC TETRAHYDROQUINOLINE COMBINATORIAL LIBRARIES | Trega Biosciences, Inc. (US) | 2000-03-08 | — | — | EP | disclosed |
| EP-0977989-A1 | 4-SUBSTITUTED-QUINOLINE DERIVATIVES AND 4-SUBSTITUTE-QUINOLINE COMBINATORIAL LIBRARIES | TREGA BIOSCIENCES, INC. (US) | 2000-02-09 | — | — | EP | disclosed |
| EP-0923734-A1 | QUINOLINE DERIVATIVES AND QUINOLINE COMBINATORIAL LIBRARIES | Trega Biosciences, Inc. (US) | 1999-06-23 | — | — | EP | disclosed |
| WO-1998034111-A1 | TRICYCLIC TETRAHYDROQUINOLINE DERIVATIVES AND TRICYCLIC TETRAHYDROQUINOLINE COMBINATORIAL LIBRARIES | TREGA BIOSCIENCES, INC. (US) | 1998-08-06 | — | — | WO | disclosed |
| WO-1998034115-A1 | 4-SUBSTITUTED-QUINOLINE DERIVATIVES AND 4-SUBSTITUTE-QUINOLINE COMBINATORIAL LIBRARIES | TREGA BIOSCIENCES, INC. (US) | 1998-08-06 | — | — | WO | disclosed |
| WO-1998002741-A9 | QUINOLINE DERIVATIVES AND QUINOLINE COMBINATORIAL LIBRARIES | — | 1998-05-22 | — | — | WO | disclosed |
| WO-1998002741-A1 | QUINOLINE DERIVATIVES AND QUINOLINE COMBINATORIAL LIBRARIES | TREGA BIOSCIENCES, INC. (US) | 1998-01-22 | — | — | WO | disclosed |