Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | PDE4A | P27815 | 2/20 | 0.43 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.43 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.43 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.43 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.43 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.43 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.43 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | CARM1 | Q86X55 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL755016 | 0.84 | EPHX2 (0.46) | ALDH1A1TSHRSMN1; SMN2POLB | |
| SCHEMBL2542153 | 0.81 | ALDH1A1 (0.49) | ALDH1A1TSHRSMN1; SMN2MAPTFFAR1 | |
| Trifluoroacetic Acid SCHEMBL2789683 | 0.77 | CARM1 (0.45) | FFAR1OPRK1CARM1PRMT6 | |
| SCHEMBL13165741 | 0.77 | ALDH1A1 (0.47) | ALDH1A1TSHRSMN1; SMN2MAPTSLC6A2 | |
| SCHEMBL13165745 | 0.76 | CARM1 (0.43) | ALDH1A1TSHRMAPTKMT2ASLC6A2 | |
| SCHEMBL2787456 | 0.76 | CPB2 (0.47) | ALDH1A1MAPTKMT2ACARM1PRMT6 | |
| Trifluoroacetic Acid SCHEMBL2788517 | 0.76 | CARM1 (0.43) | FFAR1OPRM1OPRD1OPRK1CARM1 | |
| SCHEMBL10121390 | 0.75 | ALDH1A1 (0.43) | ALDH1A1SMN1; SMN2FFAR1POLB | |
| Trifluoroacetic Acid SCHEMBL2787547 | 0.74 | CARM1 (0.42) | FFAR1OPRK1CARM1PRMT6 | |
| Cyclopropane SCHEMBL3650772 | 0.74 | EPHX2 (0.47) | POLB |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2188254-B1 | NOVEL BRADYKININ B1-ANTAGONISTS | BOEHRINGER INGELHEIM INT (DE) | 2012-03-21 | — | — | EP | 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 |