Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MBOAT4 | Q96T53 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.37 |
| ▸ | HTR2A | P28223 | 1/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.37 |
| ▸ | CCR2 | P41597 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.35 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.35 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.35 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.35 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.35 |
| ▸ | MCHR1 | Q99705 | 4/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.34 |
| ▸ | KDM1A | O60341 | 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 | |
|---|---|---|---|---|
| SCHEMBL23716445 | 0.87 | KEAP1 (0.38) | LMNACCR2CYP3A4RAB9AALDH1A1 | |
| SCHEMBL17663857 | 0.85 | IDO1 (0.42) | SLC6A4CYP3A4HSP90AB1ALDH1A1CYP2C19 | |
| SCHEMBL23716215 | 0.84 | MBOAT4 (0.37) | MBOAT4LMNAKCNH2HTR2ASLC6A4 | |
| SCHEMBL23716265 | 0.83 | RXRA (0.39) | MBOAT4KCNH2HTR2ASLC6A4HSP90AB1 | |
| SCHEMBL17664358 | 0.82 | HDAC3 (0.41) | KCNH2HTR2ASLC6A4CYP3A4HSP90AB1 | |
| SCHEMBL17664100 | 0.80 | FYN (0.41) | MBOAT4S1PR1S1PR3HSP90AB1ALDH1A1 | |
| SCHEMBL17663975 | 0.80 | RAB9A (0.48) | MBOAT4LMNAHSP90AB1RAB9ANPSR1 | |
| SCHEMBL17663971 | 0.79 | HSP90AB1 (0.47) | MBOAT4HSP90AB1ALDH1A1KDM4E | |
| SCHEMBL17664001 | 0.77 | GPR52 (0.35) | MBOAT4KCNH2HTR2ASLC6A4HSP90AB1 | |
| SCHEMBL14649874 | 0.77 | CYP3A4 (0.47) | KCNH2HTR2ASLC6A4CCR2CYP3A4 |
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-3209732-B1 | SPHINGOSINE-1-PHOSPATE RECEPTOR MODULATORS FOR TREATMENT OF CARDIOPULMONARY DISORDERS | SCRIPPS RESEARCH INST (US) | 2021-08-04 | — | — | EP | disclosed |