Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.50 |
| ▸ | CES1 | P23141 | 2/20 | 0.50 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.50 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.50 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.50 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.50 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.50 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.50 |
| ▸ | PARP1 | P09874 | 1/20 | 0.46 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.46 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.44 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL12369212 | 0.83 | SLC6A2 (0.49) | CHRNB2SLC6A2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL12369211 | 0.83 | SLC6A2 (0.49) | CHRNB2SLC6A2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL877335 | 0.83 | OPRM1 (0.47) | PARP1OPRM1NPC1MAPTMAPK1 | |
| SCHEMBL15471637 | 0.83 | SLC6A2 (0.49) | CHRNB2SLC6A2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL31351227 | 0.82 | CES2 (0.54) | CES2CES1CHRNB2SLC6A2CHRNB4 | |
| SCHEMBL12099223 | 0.81 | PBRM1 (0.45) | CHRNB2CHRNA4OPRM1NPC1MAPT | |
| SCHEMBL12163002 | 0.81 | PBRM1 (0.45) | CHRNB2CHRNA4OPRM1NPC1MAPT | |
| SCHEMBL12099224 | 0.81 | PBRM1 (0.45) | CHRNB2CHRNA4OPRM1NPC1MAPT | |
| Hydrochloric Acid SCHEMBL2555308 | 0.81 | MAPT (0.46) | PARP1OPRM1NPC1MAPTMAPK1 | |
| SCHEMBL31350964 | 0.81 | CES2 (0.53) | CES2CES1CHRNB2SLC6A2CHRNB4 |
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 |
|---|---|---|---|---|---|---|---|
| WO-1998003478-A1 | NITRONE DERIVATIVES, PROCESSES AND INTERMEDIATES FOR THEIR PREPARATION, AND THEIR USE AS HERBICIDES | RHONE-POULENC AGRICULTURE LTD. (GB) | 1998-01-29 | — | — | WO | disclosed |
| WO-1998003479-A1 | NITRONE DERIVATIVES, PROCESSES AND INTERMEDIATES FOR THEIR PREPARATION, AND THEIR USE AS HERBICIDES | RHONE-POULENC AGRICULTURE LTD. (GB) | 1998-01-29 | — | — | WO | disclosed |