Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.38 |
| ▸ | OPRM1 | P35372 | 4/20 | 0.37 |
| ▸ | OPRL1 | P41146 | 4/20 | 0.37 |
| ▸ | DRD2 | P14416 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | CCNC | P24863 | 1/20 | 0.33 |
| ▸ | CDK8 | P49336 | 1/20 | 0.33 |
| ▸ | HASPIN | Q8TF76 | 1/20 | 0.33 |
| ▸ | CCR3 | P51677 | 1/20 | 0.33 |
| ▸ | ALPL | P05186 | 1/20 | 0.33 |
| ▸ | BACE1 | P56817 | 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 | |
|---|---|---|---|---|
| SCHEMBL7654525 | 0.82 | SIGMAR1 (0.40) | SIGMAR1OPRM1OPRL1DRD2ALDH1A1 | |
| SCHEMBL7294932 | 0.74 | SIGMAR1 (0.31) | SIGMAR1 | |
| Hydrochloric Acid SCHEMBL4042073 | 0.74 | SIGMAR1 (0.39) | SIGMAR1OPRM1OPRL1DRD2 | |
| SCHEMBL5112591 | 0.73 | OPRM1 (0.38) | SIGMAR1OPRM1OPRL1DRD2CCR3 | |
| SCHEMBL4037787 | 0.72 | OPRM1 (0.37) | SIGMAR1OPRM1OPRL1DRD2ALDH1A1 | |
| Hydrochloric Acid SCHEMBL4042152 | 0.72 | OPRM1 (0.46) | SIGMAR1OPRM1OPRL1DRD2 | |
| SCHEMBL4035221 | 0.69 | OPRM1 (0.36) | SIGMAR1OPRM1OPRL1DRD2ALDH1A1 | |
| SCHEMBL12513649 | 0.68 | OPRM1 (0.45) | SIGMAR1OPRM1OPRL1ALDH1A1TP53 | |
| SCHEMBL171980 | 0.68 | SIGMAR1 (0.54) | SIGMAR1 | |
| SCHEMBL29674557 | 0.68 | SIGMAR1 (0.54) | SIGMAR1 |
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-2009050237-A1 | CGRP ANTAGONISTS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2009-04-23 | — | — | WO | disclosed |