Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.32 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.32 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.32 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.32 |
| ▸ | FDPS | P14324 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL6532764 | 0.84 | S1PR1 (0.38) | TSHRCYP2C19S1PR4S1PR1S1PR3 | |
| SCHEMBL8161690 | 0.79 | TSHR (0.44) | TSHRCYP2C19 | |
| SCHEMBL28310167 | 0.77 | S1PR1 (0.39) | S1PR4S1PR1S1PR3S1PR5FDPS | |
| SCHEMBL9018612 | 0.72 | TYMS (0.42) | TSHRCYP2C19 | |
| SCHEMBL21995390 | 0.71 | LPAR3 (0.33) | S1PR4S1PR1S1PR3S1PR5FDPS | |
| SCHEMBL18893736 | 0.70 | CETP (0.33) | TSHRCYP2C19S1PR4S1PR1S1PR3 | |
| SCHEMBL2149789 | 0.68 | TSHR (0.30) | TSHRCYP2C19 | |
| SCHEMBL2149767 | 0.68 | SMPD1 (0.32) | TSHRCYP2C19 | |
| SCHEMBL21995296 | 0.68 | TSHR (0.33) | TSHRCYP2C19 | |
| SCHEMBL28598293 | 0.67 | TSHR (0.31) | TSHRCYP2C19 |
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-0698029-A1 | PROCESS FOR THE PREPARATION OF AZAMACROCYLCIC OR ACYCLIC AMINOPHOSPHONATE ESTER DERIVATIVES | THE DOW CHEMICAL COMPANY (US) | 1996-02-28 | — | — | EP | disclosed |
| WO-1994026753-A1 | PROCESS FOR THE PREPARATION OF AZAMACROCYLCIC OR ACYCLIC AMINOPHOSPHONATE ESTER DERIVATIVES | THE DOW CHEMICAL COMPANY (US) | 1994-11-24 | — | — | WO | disclosed |