Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 2/20 | 0.42 |
| ▸ | S1PR1 | P21453 | 4/20 | 0.38 |
| ▸ | CCR2 | P41597 | 2/20 | 0.36 |
| ▸ | DRD1 | P21728 | 1/20 | 0.36 |
| ▸ | DRD4 | P21917 | 1/20 | 0.36 |
| ▸ | DRD5 | P21918 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 3/20 | 0.34 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | MAOA | P21397 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL17199240 | 0.83 | DRD2 (0.42) | DRD2S1PR1CCR2DRD1DRD4 | |
| SCHEMBL25843217 | 0.83 | DRD2 (0.42) | DRD2S1PR1CCR2DRD1DRD4 | |
| SCHEMBL17914140 | 0.83 | DRD2 (0.42) | DRD2S1PR1CCR2DRD1DRD4 | |
| SCHEMBL25843271 | 0.83 | DRD2 (0.42) | DRD2S1PR1CCR2DRD1DRD4 | |
| SCHEMBL12509155 | 0.83 | PDPK1 (0.50) | DRD2S1PR1CCR2DRD1DRD4 | |
| SCHEMBL17914139 | 0.83 | DRD2 (0.42) | DRD2S1PR1CCR2DRD1DRD4 | |
| SCHEMBL12508446 | 0.83 | PDPK1 (0.50) | DRD2S1PR1CCR2DRD1DRD4 | |
| SCHEMBL22073767 | 0.83 | PDPK1 (0.50) | DRD2S1PR1CCR2DRD1DRD4 | |
| SCHEMBL16690580 | 0.83 | DRD2 (0.42) | DRD2S1PR1CCR2DRD1DRD4 | |
| SCHEMBL22032577 | 0.78 | CCR2 (0.40) | DRD2S1PR1CCR2DRD4ALDH1A1 |
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-3406142-B1 | SELECTIVE SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS AND METHODS OF CHIRAL SYNTHESIS | CELGENE INT II SARL (CH) | 2020-12-23 | — | — | EP | disclosed |