Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.36 |
| ▸ | CES1 | P23141 | 2/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.33 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | EGFR | P00533 | 1/20 | 0.32 |
| ▸ | MMP1 | P03956 | 1/20 | 0.32 |
| ▸ | MMP2 | P08253 | 1/20 | 0.32 |
| ▸ | MMP9 | P14780 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.31 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.31 |
| ▸ | CPA1 | P15085 | 3/20 | 0.31 |
| ▸ | FBP1 | P09467 | 1/20 | 0.31 |
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) | CES2CES1ALDH1A1KMT2AGAA | |
| SCHEMBL8702479 | 0.83 | KMT2A (0.42) | CES2CES1TDP1ALDH1A1KMT2A | |
| SCHEMBL8702949 | 0.82 | MMP2 (0.40) | ALDH1A1KMT2ANPC1RAB9AMMP2 | |
| SCHEMBL8700018 | 0.80 | ALDH1A1 (0.41) | ALDH1A1KMT2ANPC1RAB9AMMP2 | |
| SCHEMBL8697830 | 0.80 | KMT2A (0.41) | CES2CES1TDP1ALDH1A1KMT2A | |
| SCHEMBL8697105 | 0.79 | MMP2 (0.41) | CES2CES1ALDH1A1KMT2AGAA | |
| SCHEMBL8696621 | 0.78 | G6PD (0.41) | CES2CES1ALDH1A1KMT2AGAA | |
| SCHEMBL8696613 | 0.78 | CYP1A2 (0.39) | CES2CES1ALDH1A1GAATAS1R3 | |
| SCHEMBL8702048 | 0.78 | MMP2 (0.40) | TDP1ALDH1A1KMT2ATAS1R3TAS1R1 | |
| SCHEMBL8696907 | 0.78 | ERCC5 (0.38) | CES2CES1ALDH1A1KMT2ATAS1R3 |
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 |