Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.42 |
| ▸ | KCNMA1 | Q12791 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | KAT2B | Q92831 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL7775198 | 0.88 | TSHR (0.50) | TSHRCYP3A4GPR35KCNMA1ALDH1A1 | |
| SCHEMBL8460274 | 0.78 | ALDH1A1 (0.45) | TSHRGPR35ALDH1A1MEN1KMT2A | |
| SCHEMBL7775428 | 0.75 | TSHR (0.46) | TSHRCYP3A4ALDH1A1NPC1RAB9A | |
| Lithium Ion SCHEMBL8329177 | 0.73 | TSHR (0.50) | TSHRCYP3A4GPR35KCNMA1MAPT | |
| SCHEMBL7775199 | 0.72 | TSHR (0.46) | TSHRCYP3A4ALDH1A1NPC1SMN1; SMN2 | |
| SCHEMBL404758 | 0.70 | VCAM1 (0.64) | TSHRCYP3A4GPR35ALDH1A1MAPT | |
| SCHEMBL294724 | 0.68 | TSHR (1.00) | TSHRCYP3A4GPR35ALDH1A1MAPT | |
| SCHEMBL3737962 | 0.68 | TSHR (0.51) | TSHRCYP3A4GPR35KCNMA1ALDH1A1 | |
| SCHEMBL306096 | 0.68 | TSHR (0.67) | TSHRCYP3A4GPR35KCNMA1ALDH1A1 | |
| SCHEMBL1343668 | 0.67 | TSHR (0.60) | TSHRCYP3A4GPR35ALDH1A1MAPT |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-2001507707-A | — | — | 2001-06-12 | — | — | JP | claimed |
| EP-0948503-A1 | PREPARATION OF CYANOPHOSPHONATES FROM PHOSPHATES AND CYANIDE | MONSANTO COMPANY (US) | 1999-10-13 | — | — | EP | claimed |
| US-5861525-A | Method for preparing cyanophosphonate derivatives from phosphate esters and cyanide | MONSANTO COMPANY (US) | 1999-01-19 | — | — | US | claimed |
| WO-1998029424-A1 | PREPARATION OF CYANOPHOSPHONATES FROM PHOSPHATES AND CYANIDE | MONSANTO COMPANY (US) | 1998-07-09 | — | — | WO | claimed |
| US-5861525-A | Method for preparing cyanophosphonate derivatives from phosphate esters and cyanide | MONSANTO COMPANY (US) | 1999-01-19 | — | — | US | disclosed |