Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.37 |
| ▸ | HTR2C | P28335 | 2/20 | 0.36 |
| ▸ | HTR2B | P41595 | 2/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | IDO1 | P14902 | 1/20 | 0.34 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.33 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 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 | |
|---|---|---|---|---|
| SCHEMBL17663971 | 0.84 | HSP90AB1 (0.47) | HSP90AB1SLC6A2SLC6A3HTR2CHTR2B | |
| SCHEMBL23716355 | 0.81 | PNMT (0.42) | SLC6A2SLC6A3SLC6A4ALDH1A1KMT2A | |
| SCHEMBL23716095 | 0.78 | GPR52 (0.34) | HDAC3HDAC1HDAC2HDAC6MAPK1 | |
| SCHEMBL17664018 | 0.78 | GBA1 (0.48) | HSP90AB1KMT2AMEN1NPC1 | |
| SCHEMBL17664027 | 0.78 | KEAP1 (0.43) | HSP90AB1SLC6A2SLC6A3ALDH1A1KMT2A | |
| SCHEMBL17663975 | 0.74 | RAB9A (0.48) | HSP90AB1KMT2AMEN1L3MBTL1NPC1 | |
| SCHEMBL17663986 | 0.74 | SMO (0.46) | HSP90AB1HTR2CHTR2B | |
| SCHEMBL26687370 | 0.74 | HSP90AB1 (0.39) | HSP90AB1SLC6A2SLC6A3HTR2CHTR2B | |
| SCHEMBL14037165 | 0.71 | — | — | |
| SCHEMBL17664102 | 0.70 | MAOA (0.45) | ALDH1A1KDM4E |
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 |