Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMYD3 | Q9H7B4 | 7/20 | 0.44 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.43 |
| ▸ | DPP4 | P27487 | 2/20 | 0.41 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.41 |
| ▸ | ITGB3 | P05106 | 2/20 | 0.40 |
| ▸ | ITGA2B | P08514 | 2/20 | 0.40 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.40 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.40 |
| ▸ | CYP51A1 | Q16850 | 1/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL5364597 | 0.80 | SMN1; SMN2 (0.47) | OPRD1DPP4ITGB3ITGA2BHDAC8 | |
| SCHEMBL5364603 | 0.80 | TPSAB1 (0.44) | SMYD3OPRD1DPP4ITGB3ITGA2B | |
| SCHEMBL16002877 | 0.78 | ALDH1A1 (0.52) | EPHX2HPGDSIGMAR1 | |
| SCHEMBL17207616 | 0.75 | EPHX2 (0.47) | DPP4EPHX2 | |
| SCHEMBL3145714 | 0.74 | DPP4 (0.57) | SMYD3OPRD1DPP4 | |
| SCHEMBL13261024 | 0.74 | AVPR1A (0.46) | ITGB3ITGA2BCYP51A1 | |
| SCHEMBL13772745 | 0.74 | EPHX2 (0.33) | SMYD3EPHX2SIGMAR1 | |
| SCHEMBL6164884 | 0.74 | OPRD1 (0.60) | SMYD3OPRD1DPP4HDAC8 | |
| SCHEMBL16003001 | 0.73 | MGLL (0.55) | EPHX2 | |
| SCHEMBL3142935 | 0.73 | MEN1 (0.51) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2108648-A1 | Selected CGRP antagonists, method for their manufacture and use as medicines | Boehringer Ingelheim International GmbH (DE) | 2009-10-14 | — | — | EP | disclosed |