Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | CES2 | O00748 | 2/20 | 0.38 |
| ▸ | CES1 | P23141 | 2/20 | 0.38 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.38 |
| ▸ | ERCC5 | P28715 | 1/20 | 0.38 |
| ▸ | FEN1 | P39748 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | NPC1 | O15118 | 3/20 | 0.35 |
| ▸ | RAB9A | P51151 | 3/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 2/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | GPR52 | Q9Y2T5 | 1/20 | 0.33 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8697239 | 0.88 | KDM4E (0.39) | KDM4ELMNACES2CES1PTPN1 | |
| SCHEMBL8700404 | 0.88 | CES2 (0.36) | KDM4ELMNACES2CES1KMT2A | |
| SCHEMBL8696907 | 0.85 | ERCC5 (0.38) | KDM4ELMNACES2CES1ERCC5 | |
| SCHEMBL8697163 | 0.85 | CES2 (0.39) | KDM4ELMNACES2CES1PTPN1 | |
| SCHEMBL8697492 | 0.83 | KMT2A (0.40) | LMNAKMT2AALDH1A1NPC1RAB9A | |
| SCHEMBL8700373 | 0.83 | AR (0.40) | LMNAKMT2AALDH1A1NPC1RAB9A | |
| SCHEMBL8702479 | 0.83 | KMT2A (0.42) | LMNACES2CES1KMT2AALDH1A1 | |
| SCHEMBL8702949 | 0.82 | MMP2 (0.40) | LMNAKMT2AALDH1A1NPC1RAB9A | |
| SCHEMBL8702066 | 0.82 | KMT2A (0.32) | KMT2AALDH1A1MEN1 | |
| SCHEMBL8700018 | 0.80 | ALDH1A1 (0.41) | KDM4EKMT2AALDH1A1NPC1RAB9A |
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 |