Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.55 |
| ▸ | CES1 | P23141 | 1/20 | 0.55 |
| ▸ | PTGS1 | P23219 | 5/20 | 0.53 |
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.49 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.48 |
| ▸ | RORC | P51449 | 1/20 | 0.47 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | GSK3B | P49841 | 2/20 | 0.47 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL10936559 | 0.85 | MPO (0.44) | — | |
| SCHEMBL11435029 | 0.81 | NPSR1 (0.59) | CES2PTGS1RAB9A | |
| SCHEMBL11441697 | 0.81 | HDAC1 (0.60) | TRPV1SRD5A2NPC1RAB9A | |
| Flurofamide SCHEMBL635029 | 0.80 | MEN1 (0.50) | CES2CES1PTPN1NPC1RAB9A | |
| SCHEMBL11435601 | 0.78 | LMNA (0.55) | PTGS1NPC1RAB9A | |
| SCHEMBL182755 | 0.78 | CES2 (0.61) | CES2CES1PTGS1TRPV1SRD5A2 | |
| SCHEMBL1504927 | 0.76 | KDM4E (0.61) | CES2CES1 | |
| SCHEMBL8656312 | 0.76 | ALDH1A1 (0.59) | CES2CES1NPC1RAB9A | |
| SCHEMBL14880225 | 0.75 | CES2 (0.64) | CES2CES1PTGS1TRPV1SRD5A2 | |
| SCHEMBL4174548 | 0.75 | CES2 (0.64) | CES2CES1PTGS1TRPV1SRD5A2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1998042347-A1 | PHARMACEUTICAL COMPOSITION CONTAINING A PHOSPHORYLAMIDE AND AN AYNTIBIOTIC | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1998-10-01 | — | — | WO | disclosed |
| EP-0852498-A1 | PHOSPHORYLAMIDES, THEIR PREPARATION AND USE | Takeda Chemical Industries, Ltd. (JP) | 1998-07-15 | — | — | EP | disclosed |
| WO-1997011705-A1 | PHOSPHORYLAMIDES, THEIR PREPARATION AND USE | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1997-04-03 | — | — | WO | disclosed |