Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 4/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.54 |
| ▸ | S1PR3 | Q99500 | 2/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | LMNA | P02545 | 3/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.46 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.46 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.46 |
| ▸ | RAB9A | P51151 | 3/20 | 0.45 |
| ▸ | NPC1 | O15118 | 2/20 | 0.45 |
| ▸ | PDE4A | P27815 | 1/20 | 0.45 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.45 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL4284422 | 0.94 | S1PR1 (0.61) | S1PR1SMN1; SMN2S1PR3KDM4EHSD17B10 | |
| SCHEMBL17040094 | 0.90 | HDAC1 (0.46) | S1PR1SMN1; SMN2KDM4EHSD17B10MEN1 | |
| Hydrochloric Acid SCHEMBL28033868 | 0.89 | SMN1; SMN2 (0.53) | S1PR1SMN1; SMN2S1PR3KDM4EHSD17B10 | |
| SCHEMBL17037225 | 0.86 | PDE4A (0.53) | SMN1; SMN2KDM4EHSD17B10ALDH1A1LMNA | |
| SCHEMBL28788541 | 0.81 | HDAC1 (0.46) | SMN1; SMN2KDM4EHSD17B10ALDH1A1HPGD | |
| SCHEMBL4280780 | 0.81 | S1PR1 (0.50) | S1PR1SMN1; SMN2S1PR3KDM4EHSD17B10 | |
| SCHEMBL15521532 | 0.80 | HTT (0.49) | S1PR1SMN1; SMN2S1PR3MEN1KMT2A | |
| SCHEMBL17040101 | 0.79 | HDAC1 (0.45) | SMN1; SMN2MEN1KMT2AMAPTHDAC1 | |
| SCHEMBL17037227 | 0.78 | PDE4A (0.52) | SMN1; SMN2KDM4EHSD17B10ALDH1A1LMNA | |
| SCHEMBL17037226 | 0.78 | ALDH1A1 (0.52) | SMN1; SMN2KDM4EHSD17B10ALDH1A1LMNA |
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 |
|---|---|---|---|---|---|---|---|
| WO-2015161830-A1 | HETEROAROMATIC DERIVATIVES AND PHARMACEUTICAL APPLICATIONS THEREOF | SUNSHINE LAKE PHARMA CO., LTD. (CN) | 2015-10-29 | — | — | WO | disclosed |