Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 8/20 | 0.41 |
| ▸ | ESR2 | Q92731 | 8/20 | 0.41 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA7 | P43166 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | DRD1 | P21728 | 5/20 | 0.32 |
| ▸ | DRD5 | P21918 | 2/20 | 0.32 |
| ▸ | DRD2 | P14416 | 2/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | ADCY2 | Q08462 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.32 |
| ▸ | ADRA2B | P18089 | 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 | |
|---|---|---|---|---|
| SCHEMBL15849139 | 0.83 | ESR1 (0.37) | ESR1ESR2MTNR1BCA12CA1 | |
| SCHEMBL15828479 | 0.76 | ESR1 (0.55) | ESR1ESR2CA12CA1CA2 | |
| SCHEMBL6631121 | 0.72 | ESR1 (0.41) | ESR1ESR2MTNR1BCA12CA1 | |
| SCHEMBL17890603 | 0.72 | ESR1 (0.62) | ESR1ESR2CA12CA1CA2 | |
| SCHEMBL1094997 | 0.72 | ESR1 (0.41) | ESR1ESR2DRD1DRD5DRD2 | |
| SCHEMBL18408135 | 0.68 | HSD11B1 (0.47) | ESR1ESR2 | |
| SCHEMBL6631355 | 0.68 | MTNR1B (0.46) | ESR1ESR2MTNR1BTSHRLMNA | |
| SCHEMBL18407969 | 0.67 | SIGMAR1 (0.57) | — | |
| SCHEMBL1396472 | 0.67 | SIGMAR1 (0.57) | — | |
| SCHEMBL1207171 | 0.67 | SIGMAR1 (0.57) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8765780-B2 | Alicyclic carboxylic acid derivatives of benzomorphans and related scaffolds, medicaments containing such compounds and their use | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2014-07-01 | — | — | US | disclosed |