Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC3 | O15379 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.41 |
| ▸ | PARP1 | P09874 | 2/20 | 0.40 |
| ▸ | IDO1 | P14902 | 1/20 | 0.40 |
| ▸ | HTR1A | P08908 | 3/20 | 0.39 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.36 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.36 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.36 |
| ▸ | EGFR | P00533 | 2/20 | 0.36 |
| ▸ | GPR52 | Q9Y2T5 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.35 |
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | SOS1 | Q07889 | 1/20 | 0.35 |
| ▸ | DAO | P14920 | 1/20 | 0.34 |
| ▸ | CNR2 | P34972 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL17664001 | 0.89 | GPR52 (0.35) | HDAC3HDAC1HDAC2HDAC6PARP1 | |
| SCHEMBL17664100 | 0.88 | FYN (0.41) | HSP90AB1DAO | |
| SCHEMBL17663857 | 0.86 | IDO1 (0.42) | IDO1HSP90AB1CYP3A4SLC6A4 | |
| SCHEMBL23716265 | 0.84 | RXRA (0.39) | HSP90AB1SLC6A4HTR2AKCNH2DAO | |
| SCHEMBL23716215 | 0.83 | MBOAT4 (0.37) | HSP90AB1CYP3A4SLC6A4HTR2AKCNH2 | |
| SCHEMBL23716203 | 0.82 | MBOAT4 (0.39) | HSP90AB1CYP3A4SLC6A4HTR2AKCNH2 | |
| SCHEMBL17663971 | 0.80 | HSP90AB1 (0.47) | IDO1HSP90AB1 | |
| SCHEMBL29442805 | 0.77 | ALDH1A1 (0.54) | HDAC3HDAC1HDAC2HDAC6PARP1 | |
| SCHEMBL21384002 | 0.77 | ALDH1A1 (0.54) | HDAC3HDAC1HDAC2HDAC6PARP1 | |
| SCHEMBL17664376 | 0.76 | ALDH1A1 (0.43) | IDO1HTR1AHTR2A |
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 2 patents. 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 |
| WO-2016053855-A1 | SPHINGOSINE-1-PHOSPATE RECEPTOR MODULATORS FOR TREATMENT OF CARDIOPULMONARY DISORDERS | THE SCRIPPS RESEARCH INSTITUTE (US) | 2016-04-07 | — | — | WO | disclosed |