Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMYD3 | Q9H7B4 | 7/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.51 |
| ▸ | RAB9A | P51151 | 4/20 | 0.49 |
| ▸ | NPC1 | O15118 | 3/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | CYP46A1 | Q9Y6A2 | 1/20 | 0.47 |
| ▸ | WNT1 | P04628 | 1/20 | 0.46 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.46 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | RORC | P51449 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| Bicarbonate SCHEMBL185416 | 0.96 | ALDH1A1 (0.52) | SMYD3ALDH1A1L3MBTL1RAB9ANPC1 | |
| SCHEMBL30285432 | 0.93 | SMYD3 (0.49) | SMYD3ALDH1A1L3MBTL1RAB9ANPC1 | |
| SCHEMBL5080713 | 0.92 | NPC1 (0.53) | SMYD3ALDH1A1L3MBTL1RAB9ANPC1 | |
| SCHEMBL2954123 | 0.88 | SMYD3 (0.51) | SMYD3WNT1DYRK1A | |
| SCHEMBL19133764 | 0.85 | HDAC4 (0.47) | SMYD3 | |
| SCHEMBL19132762 | 0.85 | SMYD3 (0.46) | SMYD3ALDH1A1L3MBTL1RAB9ANPC1 | |
| SCHEMBL29772208 | 0.83 | HCAR2 (0.41) | SMYD3ALDH1A1L3MBTL1HCAR2MAPT | |
| SCHEMBL19877022 | 0.81 | NAMPT (0.50) | CYP2C19 | |
| SCHEMBL27962651 | 0.81 | NAMPT (0.50) | CYP2C19 | |
| SCHEMBL1116630 | 0.78 | ALDH1A1 (0.78) | ALDH1A1L3MBTL1RAB9ASMN1; SMN2HTT |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109996546-A | P2X3And/or P2X2/3Compounds and methods | 阿沙纳生物科学公司 | 2019-07-09 | — | — | CN | claimed |
| CN-109996546-A | P2X3And/or P2X2/3Compounds and methods | 阿沙纳生物科学公司 | 2019-07-09 | — | — | CN | disclosed |
| 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 |
| WO-2010097373-A1 | COMPOUNDS FOR USE AS BRADYKININ B1 ANTAGONISTS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-09-02 | — | — | WO | disclosed |
| EP-2188254-A1 | NOVEL BRADYKININ B1-ANTAGONISTS | Boehringer Ingelheim International GmbH (DE) | 2010-05-26 | — | — | EP | disclosed |
| WO-2009027450-A1 | NOVEL BRADYKININ B1-ANTAGONISTS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2009-03-05 | — | — | WO | disclosed |