Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGES | O14684 | 1/20 | 0.34 |
| ▸ | CNR2 | P34972 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA7 | P43166 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | MGLL | Q99685 | 1/20 | 0.33 |
| ▸ | ABHD6 | Q9BV23 | 1/20 | 0.33 |
| ▸ | MET | P08581 | 1/20 | 0.33 |
| ▸ | BTK | Q06187 | 1/20 | 0.33 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.33 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.33 |
| ▸ | ACACB | O00763 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL2805728 | 0.99 | PTGES (0.34) | PTGESCNR2CA1CA2CA7 | |
| SCHEMBL2778630 | 0.89 | NPC1 (0.40) | CNR2BTK | |
| Hydrochloric Acid SCHEMBL2805730 | 0.88 | AKT2 (0.38) | PTGESCNR2CA1CA2CA7 | |
| SCHEMBL2809865 | 0.87 | TP53 (0.39) | CNR2CA1CA2CA7CA9 | |
| SCHEMBL2781755 | 0.79 | POLB (0.40) | CA1CA2CA7CA9TRPV1 | |
| SCHEMBL13128518 | 0.79 | BDKRB1 (0.45) | PTGESCNR2BTKHTR2AACACB | |
| SCHEMBL185482 | 0.78 | MAOB (0.40) | MGLLABHD6S1PR1S1PR3ACACB | |
| SCHEMBL2808315 | 0.77 | NPC1 (0.41) | BTKS1PR1S1PR3 | |
| SCHEMBL13160207 | 0.77 | BTK (0.32) | BTK | |
| SCHEMBL2809872 | 0.76 | TP53 (0.40) | CA1CA2CA7CA9 |
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 2 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 |
| WO-2010097372-A1 | COMPOUNDS AS BRADYKININ B1 ANTAGONISTS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-09-02 | — | — | WO | disclosed |