Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BDKRB2 | P30411 | 2/20 | 0.54 |
| ▸ | CTSL | P07711 | 1/20 | 0.44 |
| ▸ | CTSB | P07858 | 1/20 | 0.44 |
| ▸ | CTSK | P43235 | 1/20 | 0.44 |
| ▸ | AGTR2 | P50052 | 2/20 | 0.44 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.41 |
| ▸ | SPHK2 | Q9NRA0 | 1/20 | 0.41 |
| ▸ | MC4R | P32245 | 2/20 | 0.41 |
| ▸ | MC3R | P41968 | 2/20 | 0.41 |
| ▸ | MC1R | Q01726 | 2/20 | 0.41 |
| ▸ | MMP9 | P14780 | 1/20 | 0.40 |
| ▸ | BCHE | P06276 | 1/20 | 0.39 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.39 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | NAAA | Q02083 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL5048525 | 1.00 | BDKRB2 (0.54) | BDKRB2CTSLCTSBCTSKAGTR2 | |
| SCHEMBL26605025 | 1.00 | BDKRB2 (0.54) | BDKRB2CTSLCTSBCTSKAGTR2 | |
| SCHEMBL15798198 | 1.00 | BDKRB2 (0.54) | BDKRB2CTSLCTSBCTSKAGTR2 | |
| SCHEMBL1162325 | 0.88 | BDKRB2 (0.43) | BDKRB2MC4RMC3RMC1REPHX2 | |
| SCHEMBL29385583 | 0.85 | BDKRB2 (0.51) | BDKRB2CTSLCTSBCTSKAGTR2 | |
| SCHEMBL28590950 | 0.84 | ALDH1A1 (0.41) | BDKRB2SPHK2ALDH1A1 | |
| SCHEMBL71548 | 0.84 | ABCB1 (0.58) | BDKRB2ABCB1 | |
| SCHEMBL30421047 | 0.84 | ABCB1 (0.58) | BDKRB2ABCB1 | |
| SCHEMBL3855580 | 0.84 | ABCB1 (0.58) | BDKRB2ABCB1 | |
| SCHEMBL28995867 | 0.84 | ABCB1 (0.58) | BDKRB2ABCB1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2931727-A1 | DIAZEPINE DERIVATIVES USEFUL AS CALCIUM CHANNEL BLOCKERS IN THE TREATMENT OF PAIN | Abbvie Inc. (US) | 2015-10-21 | — | — | EP | disclosed |
| WO-2014093337-A1 | DIAZEPINE DERIVATIVES USEFUL AS CALCIUM CHANNEL BLOCKERS IN THE TREATMENT OF PAIN | ABBVIE, INC. (US) | 2014-06-19 | — | — | WO | disclosed |
| EP-2349244-A1 | PYRROLIDINE COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF | COMENTIS, INC. (US) | 2011-08-03 | — | — | EP | disclosed |
| WO-2010042892-A1 | PYRROLIDINE COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF | COMENTIS, INC. (US) | 2010-04-15 | — | — | WO | disclosed |
| EP-1409463-B1 | N-HETEROCYCLIC INHIBITORS OF TNF-ALPHA EXPRESSION | BRISTOL MYERS SQUIBB CO (US) | 2010-02-24 | — | — | EP | disclosed |