Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM5 | P41594 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.35 |
| ▸ | VNN1 | O95497 | 4/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | ACACB | O00763 | 1/20 | 0.33 |
| ▸ | APP | P05067 | 1/20 | 0.33 |
| ▸ | F2 | P00734 | 1/20 | 0.33 |
| ▸ | GLA | P06280 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.33 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.31 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.31 |
| ▸ | HDAC2 | Q92769 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL10587885 | 0.82 | ACACB (0.38) | GRM5ALDH1A1KDM4EHCAR3VNN1 | |
| SCHEMBL10589105 | 0.81 | CYP1A2 (0.41) | ALDH1A1KDM4ECYP1A2HPGDHSP90AA1 | |
| SCHEMBL200701 | 0.79 | HDAC3 (0.41) | ALDH1A1HCAR3VNN1CYP1A2ACACB | |
| SCHEMBL186360 | 0.79 | VNN1 (0.40) | ALDH1A1HCAR3VNN1NPC1CYP1A2 | |
| SCHEMBL185620 | 0.77 | LMNA (0.35) | GRM5ALDH1A1KDM4ECYP2C9CYP2C19 | |
| SCHEMBL10589147 | 0.77 | ALDH1A1 (0.39) | ALDH1A1NPC1CYP2C9CYP2C19RAB9A | |
| SCHEMBL186223 | 0.77 | HCAR3 (0.43) | ALDH1A1KDM4EHCAR3VNN1ACACB | |
| SCHEMBL185453 | 0.74 | HDAC3 (0.46) | GRM5KDM4EHCAR3ACACBHDAC3 | |
| SCHEMBL16824294 | 0.74 | HCAR3 (0.48) | ALDH1A1HCAR3VNN1CYP1A2CYP2C9 | |
| SCHEMBL7020112 | 0.74 | ALDH1A1 (0.33) | ALDH1A1KDM4EF2GLAHPGD |
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 |
|---|---|---|---|---|---|---|---|
| EP-2401256-B1 | Compounds as bradykinin B1 antagonists | BOEHRINGER INGELHEIM INT (DE) | 2013-04-17 | — | — | EP | disclosed |
| EP-2401256-A1 | COMPOUNDS AS BRADYKININ B1 ANTAGONISTS | Boehringer Ingelheim International GmbH (DE) | 2012-01-04 | — | — | EP | disclosed |
| WO-2010097372-A1 | COMPOUNDS AS BRADYKININ B1 ANTAGONISTS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-09-02 | — | — | WO | disclosed |
| EP-0325131-A2 | Pyrimidine derivatives as performance stimulating agents | BAYER AG (DE) | 1989-07-26 | — | — | EP | disclosed |