Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 14/20 | 1.00 |
| ▸ | CES1 | P23141 | 13/20 | 1.00 |
| ▸ | MAPT | P10636 | 3/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | EGFR | P00533 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | ATM | Q13315 | 2/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | XBP1 | P17861 | 1/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL4625390 | 1.00 | CES2 (1.00) | CES2CES1MAPTALDH1A1EGFR | |
| SCHEMBL31175926 | 0.86 | CES2 (0.76) | CES2CES1MAPTALDH1A1EGFR | |
| Benzil SCHEMBL28406202 | 0.85 | CES2 (0.73) | CES2CES1MAPTALDH1A1EGFR | |
| Benzil SCHEMBL27551307 | 0.83 | CES2 (0.71) | CES2CES1MAPTALDH1A1EGFR | |
| SCHEMBL30823048 | 0.82 | CES2 (0.69) | CES2CES1MAPTALDH1A1SMN1; SMN2 | |
| SCHEMBL4784513 | 0.82 | CES2 (0.69) | CES2CES1ALDH1A1SMN1; SMN2RAB9A | |
| SCHEMBL7566371 | 0.82 | CES2 (0.69) | CES2CES1MAPTALDH1A1SMN1; SMN2 | |
| Benzil SCHEMBL7112388 | 0.82 | CES2 (0.78) | CES2CES1MAPTALDH1A1SMN1; SMN2 | |
| SCHEMBL21517648 | 0.82 | CES2 (1.00) | CES2CES1MAPTALDH1A1SMN1; SMN2 | |
| SCHEMBL10791151 | 0.81 | CES1 (0.67) | CES2CES1MAPTALDH1A1SMN1; SMN2 |
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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6388081-B1 | 4-substituted-quinoline derivatives and 4-substituted-quinoline combinatorial libraries | LION BIOSCIENCE AG (DE) | 2002-05-14 | — | — | US | claimed |
| US-6262269-B1 | 4-Substituted-quinoline derivatives and 4-substituted-quinoline combinatorial libraries | TREGA BIOSCIENCES, INC. | 2001-07-17 | — | — | US | claimed |
| US-6143895-A | TETRAHYDROQUINOLINONE COMPOUND | TREGA BIOSCIENCES, INC. (US) | 2000-11-07 | — | — | US | claimed |
| EP-0983507-A1 | TRICYCLIC TETRAHYDROQUINOLINE DERIVATIVES AND TRICYCLIC TETRAHYDROQUINOLINE COMBINATORIAL LIBRARIES | Trega Biosciences, Inc. (US) | 2000-03-08 | — | — | EP | claimed |
| EP-0977989-A1 | 4-SUBSTITUTED-QUINOLINE DERIVATIVES AND 4-SUBSTITUTE-QUINOLINE COMBINATORIAL LIBRARIES | TREGA BIOSCIENCES, INC. (US) | 2000-02-09 | — | — | EP | claimed |
| EP-0923734-A1 | QUINOLINE DERIVATIVES AND QUINOLINE COMBINATORIAL LIBRARIES | Trega Biosciences, Inc. (US) | 1999-06-23 | — | — | EP | claimed |
| US-5840500-A | OPIOD RECEPTORS AS ANALGESICS AND CENTRALLY ACTING PAIN KILLERS | TREGA BIOSCIENCES, INC. (US) | 1998-11-24 | — | — | US | claimed |
| WO-1998034115-A1 | 4-SUBSTITUTED-QUINOLINE DERIVATIVES AND 4-SUBSTITUTE-QUINOLINE COMBINATORIAL LIBRARIES | TREGA BIOSCIENCES, INC. (US) | 1998-08-06 | — | — | WO | claimed |
| WO-1998034111-A1 | TRICYCLIC TETRAHYDROQUINOLINE DERIVATIVES AND TRICYCLIC TETRAHYDROQUINOLINE COMBINATORIAL LIBRARIES | TREGA BIOSCIENCES, INC. (US) | 1998-08-06 | — | — | WO | claimed |
| WO-1998002741-A9 | QUINOLINE DERIVATIVES AND QUINOLINE COMBINATORIAL LIBRARIES | — | 1998-05-22 | — | — | WO | claimed |
| WO-1998002741-A1 | QUINOLINE DERIVATIVES AND QUINOLINE COMBINATORIAL LIBRARIES | TREGA BIOSCIENCES, INC. (US) | 1998-01-22 | — | — | WO | claimed |
| US-6388081-B1 | 4-substituted-quinoline derivatives and 4-substituted-quinoline combinatorial libraries | LION BIOSCIENCE AG (DE) | 2002-05-14 | — | — | US | disclosed |
| US-6262269-B1 | 4-Substituted-quinoline derivatives and 4-substituted-quinoline combinatorial libraries | TREGA BIOSCIENCES, INC. | 2001-07-17 | — | — | US | disclosed |
| 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-5840500-A | OPIOD RECEPTORS AS ANALGESICS AND CENTRALLY ACTING PAIN KILLERS | TREGA BIOSCIENCES, INC. (US) | 1998-11-24 | — | — | US | disclosed |
| WO-1998034115-A1 | 4-SUBSTITUTED-QUINOLINE DERIVATIVES AND 4-SUBSTITUTE-QUINOLINE COMBINATORIAL LIBRARIES | TREGA BIOSCIENCES, INC. (US) | 1998-08-06 | — | — | WO | disclosed |
| WO-1998034111-A1 | TRICYCLIC TETRAHYDROQUINOLINE DERIVATIVES AND TRICYCLIC TETRAHYDROQUINOLINE 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 |