Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMPD1 | P17405 | 4/20 | 0.41 |
| ▸ | FDPS | P14324 | 6/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | GGPS1 | O95749 | 3/20 | 0.34 |
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.34 |
| ▸ | TNNC1 | P63316 | 5/20 | 0.34 |
| ▸ | S1PR4 | O95977 | 2/20 | 0.34 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.34 |
| ▸ | S1PR3 | Q99500 | 2/20 | 0.34 |
| ▸ | S1PR5 | Q9H228 | 2/20 | 0.34 |
| ▸ | SGPL1 | O95470 | 1/20 | 0.34 |
| ▸ | GPR183 | P32249 | 1/20 | 0.34 |
| ▸ | CERS2 | Q96G23 | 1/20 | 0.34 |
| ▸ | S1PR2 | O95136 | 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 | |
|---|---|---|---|---|
| Decanoic Acid SCHEMBL28507081 | 0.87 | GPR84 (0.50) | TSHR | |
| SCHEMBL8896064 | 0.75 | TSHR (0.44) | FDPSTSHRGGPS1 | |
| SCHEMBL7106475 | 0.75 | FDPS (0.42) | SMPD1FDPSTSHRGGPS1SPHK1 | |
| SCHEMBL8896712 | 0.75 | TSHR (0.44) | FDPSTSHRGGPS1 | |
| SCHEMBL8998071 | 0.75 | FDPS (0.42) | SMPD1FDPSTSHRGGPS1SPHK1 | |
| SCHEMBL8682714 | 0.74 | TSHR (0.42) | SMPD1FDPSTSHRGGPS1 | |
| SCHEMBL14246754 | 0.71 | FDPS (0.45) | SMPD1FDPSGGPS1SPHK1 | |
| Water SCHEMBL28647058 | 0.69 | FDPS (0.44) | SMPD1FDPSGGPS1SPHK1 | |
| Hydrochloric Acid SCHEMBL28662378 | 0.69 | FDPS (0.44) | SMPD1FDPSGGPS1SPHK1S1PR1 | |
| Hydrochloric Acid SCHEMBL10620748 | 0.69 | FDPS (0.44) | SMPD1FDPSGGPS1SPHK1S1PR1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-112225857-B | Isocyanurate-containing polyisocyanate composition with stable chromaticity and preparation method thereof | 万华化学集团股份有限公司 | 2022-07-12 | — | — | CN | disclosed |
| CN-112225857-A | Isocyanurate-containing polyisocyanate composition with stable chromaticity and preparation method thereof | 万华化学集团股份有限公司 | 2021-01-15 | — | — | CN | disclosed |