Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | CES2 | O00748 | 2/20 | 0.38 |
| ▸ | CES1 | P23141 | 2/20 | 0.38 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.35 |
| ▸ | ERCC5 | P28715 | 1/20 | 0.35 |
| ▸ | FEN1 | P39748 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 1/20 | 0.35 |
| ▸ | F2 | P00734 | 1/20 | 0.34 |
| ▸ | PLAU | P00749 | 1/20 | 0.34 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.34 |
| ▸ | ELANE | P08246 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.34 |
| ▸ | NPC1 | O15118 | 2/20 | 0.34 |
| ▸ | RAB9A | P51151 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | HDAC3 | O15379 | 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 | |
|---|---|---|---|---|
| SCHEMBL8700366 | 0.88 | KDM4E (0.39) | KDM4ELMNACES2CES1PTPN1 | |
| SCHEMBL8696613 | 0.88 | CYP1A2 (0.39) | LMNACES2CES1GAAALDH1A1 | |
| SCHEMBL8700404 | 0.75 | CES2 (0.36) | KDM4ELMNACES2CES1GAA | |
| SCHEMBL8700332 | 0.73 | MMP2 (0.39) | LMNACES2CES1MAOBALDH1A1 | |
| SCHEMBL8696907 | 0.72 | ERCC5 (0.38) | KDM4ELMNACES2CES1ERCC5 | |
| SCHEMBL8697163 | 0.72 | CES2 (0.39) | KDM4ELMNACES2CES1PTPN1 | |
| SCHEMBL8697472 | 0.72 | MAOB (0.47) | KDM4EMAOBALDH1A1NPC1RAB9A | |
| SCHEMBL8700373 | 0.71 | AR (0.40) | LMNAALDH1A1NPC1RAB9ATP53 | |
| SCHEMBL8699037 | 0.71 | MAPT (0.44) | KDM4ELMNAMAOBALDH1A1NPC1 | |
| SCHEMBL8697492 | 0.71 | KMT2A (0.40) | LMNAGAAALDH1A1NPC1RAB9A |
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 |