Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.39 |
| ▸ | CES1 | P23141 | 2/20 | 0.39 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.39 |
| ▸ | ERCC5 | P28715 | 1/20 | 0.39 |
| ▸ | FEN1 | P39748 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | GPR52 | Q9Y2T5 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL8700366 | 0.85 | KDM4E (0.39) | CES2CES1PTPN1ERCC5FEN1 | |
| SCHEMBL8696553 | 0.82 | ALDH1A1 (0.44) | CES2CES1KMT2AALDH1A1NPC1 | |
| SCHEMBL8704050 | 0.82 | MAPT (0.40) | POLBKMT2AALDH1A1NPC1RAB9A | |
| SCHEMBL8699062 | 0.79 | FBP1 (0.41) | KMT2AALDH1A1NPC1RAB9A | |
| SCHEMBL8697712 | 0.79 | CHRNB2 (0.41) | CES2CES1POLBKMT2AALDH1A1 | |
| SCHEMBL8697540 | 0.76 | G6PD (0.43) | CES2CES1ERCC5FEN1KMT2A | |
| SCHEMBL8700404 | 0.74 | CES2 (0.36) | CES2CES1KMT2AALDH1A1NPC1 | |
| SCHEMBL8700372 | 0.74 | MAOB (0.41) | CES2CES1KMT2AALDH1A1MEN1 | |
| SCHEMBL8697883 | 0.72 | HDAC3 (0.49) | KMT2AALDH1A1NPC1RAB9AMEN1 | |
| SCHEMBL8697239 | 0.72 | KDM4E (0.39) | CES2CES1PTPN1ERCC5FEN1 |
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-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 |
| 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 |