Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA1B | Q00975 | 1/20 | 0.36 |
| ▸ | FAAH | O00519 | 1/20 | 0.36 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.36 |
| ▸ | S1PR5 | Q9H228 | 2/20 | 0.36 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.36 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.36 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.36 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.36 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.36 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.35 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.35 |
| ▸ | CXCR1 | P25024 | 2/20 | 0.35 |
| ▸ | CXCR2 | P25025 | 2/20 | 0.35 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.35 |
| ▸ | ALB | P02768 | 1/20 | 0.35 |
| ▸ | ESR1 | P03372 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL23717687 | 0.86 | TP53 (0.42) | S1PR1S1PR5LMNAMAPT | |
| SCHEMBL22039863 | 0.84 | MAPT (0.50) | PDK1PDK2PDK3PDK4TSHR | |
| SCHEMBL17986811 | 0.84 | MAPT (0.50) | PDK1PDK2PDK3PDK4TSHR | |
| SCHEMBL22039864 | 0.84 | MAPT (0.50) | PDK1PDK2PDK3PDK4TSHR | |
| SCHEMBL1947707 | 0.84 | MAPT (0.50) | PDK1PDK2PDK3PDK4TSHR | |
| SCHEMBL30636976 | 0.84 | MAPT (0.50) | PDK1PDK2PDK3PDK4TSHR | |
| SCHEMBL20146480 | 0.84 | MAPT (0.50) | PDK1PDK2PDK3PDK4TSHR | |
| Hydrochloric Acid SCHEMBL28654829 | 0.83 | MAPT (0.49) | PDK1PDK2PDK3PDK4TSHR | |
| SCHEMBL22550052 | 0.69 | VEGFA (0.53) | MAPT | |
| SCHEMBL15828913 | 0.68 | SLC7A5 (0.47) | FAAHPTGS1PTGS2LMNACYP2C9 |
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-3858349-A1 | NITROGEN-CONTAINING SPIRO-RING COMPOUND AND MEDICINAL USE OF SAME | Japan Tobacco Inc. (JP) | 2021-08-04 | — | — | EP | disclosed |