Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BDKRB1 | P46663 | 1/20 | 0.50 |
| ▸ | MTNR1A | P48039 | 3/20 | 0.43 |
| ▸ | MTNR1B | P49286 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | OPRK1 | P41145 | 6/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.39 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.39 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.39 |
| ▸ | F12 | P00748 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL6245119 | 0.84 | BDKRB1 (0.45) | BDKRB1MTNR1AMTNR1BOPRK1OPRD1 | |
| SCHEMBL1872257 | 0.82 | BDKRB1 (0.46) | BDKRB1OPRK1MEN1KMT2AOPRD1 | |
| SCHEMBL21765891 | 0.81 | MTNR1A (0.51) | MTNR1AMTNR1BALDH1A1MEN1CYP1A2 | |
| SCHEMBL6579209 | 0.81 | BDKRB1 (0.44) | BDKRB1OPRK1MEN1KMT2AOPRD1 | |
| SCHEMBL28255232 | 0.81 | BDKRB1 (0.43) | BDKRB1OPRK1OPRD1F12 | |
| Hydrochloric Acid SCHEMBL1873147 | 0.81 | BDKRB1 (0.45) | BDKRB1OPRK1OPRD1 | |
| SCHEMBL23469157 | 0.78 | HTT (0.56) | ALDH1A1MEN1TSHRKMT2A | |
| SCHEMBL22732073 | 0.78 | TEAD1 (0.43) | BDKRB1ALDH1A1OPRK1KMT2AOPRD1 | |
| SCHEMBL19972723 | 0.77 | OPRK1 (0.54) | BDKRB1OPRK1OPRD1 | |
| SCHEMBL1932403 | 0.77 | EPHX2 (0.53) | BDKRB1OPRK1MAPK1KMT2A |
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-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 |
| EP-0977989-A1 | 4-SUBSTITUTED-QUINOLINE DERIVATIVES AND 4-SUBSTITUTE-QUINOLINE COMBINATORIAL LIBRARIES | TREGA BIOSCIENCES, INC. (US) | 2000-02-09 | — | — | EP | disclosed |
| WO-1998034115-A1 | 4-SUBSTITUTED-QUINOLINE DERIVATIVES AND 4-SUBSTITUTE-QUINOLINE COMBINATORIAL LIBRARIES | TREGA BIOSCIENCES, INC. (US) | 1998-08-06 | — | — | WO | disclosed |