Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.38 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.33 |
| ▸ | CTSL | P07711 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | ITGAV | P06756 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | GPR132 | Q9UNW8 | 1/20 | 0.32 |
| ▸ | ACACB | O00763 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.31 |
| ▸ | ATM | Q13315 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | HPGDS | O60760 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | PRSS1 | P07477 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL2787762 | 1.00 | HCAR2 (0.38) | HCAR2BCAT2CTSLPOLBITGAV | |
| SCHEMBL2787521 | 1.00 | HCAR2 (0.38) | HCAR2BCAT2CTSLPOLBITGAV | |
| SCHEMBL2790368 | 0.87 | HCAR2 (0.37) | HCAR2BCAT2CTSLPOLBITGAV | |
| SCHEMBL2789685 | 0.77 | HCAR2 (0.36) | HCAR2BCAT2CTSLPOLBITGAV | |
| SCHEMBL14865358 | 0.76 | HCAR2 (0.47) | HCAR2BCAT2CTSLPOLBITGAV | |
| SCHEMBL2788519 | 0.74 | MAPK1 (0.43) | ACACBMAPK1SMN1; SMN2CYP1A2CYP3A4 | |
| SCHEMBL2787725 | 0.72 | MAPK1 (0.33) | HCAR2MAPK1SMN1; SMN2ALDH1A1 | |
| SCHEMBL19877014 | 0.71 | NPC1 (0.46) | HCAR2POLBATM | |
| SCHEMBL9010820 | 0.70 | SMN1; SMN2 (0.33) | HCAR2CTSLITGAVNPSR1ACACB | |
| SCHEMBL5768937 | 0.69 | KMT2A (0.42) | HCAR2CTSLPOLBITGAVCYP1A2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2010097374-A1 | COMPOUNDS FOR USE AS BRADYKININ B1 ANTAGONISTS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-09-02 | — | — | WO | disclosed |