Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | G6PD | P11413 | 1/20 | 0.43 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.41 |
| ▸ | NTSR1 | P30989 | 1/20 | 0.38 |
| ▸ | CES2 | O00748 | 1/20 | 0.38 |
| ▸ | CES1 | P23141 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | GPR139 | Q6DWJ6 | 1/20 | 0.36 |
| ▸ | BRAF | P15056 | 1/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | MAOB | P27338 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL8700372 | 0.95 | MAOB (0.41) | G6PDCYP1B1NTSR1CES2CES1 | |
| SCHEMBL8696553 | 0.90 | ALDH1A1 (0.44) | CES2CES1KMT2AALDH1A1MAPT | |
| SCHEMBL8704050 | 0.87 | MAPT (0.40) | KMT2AALDH1A1MAPTPTGS2MEN1 | |
| SCHEMBL8696621 | 0.85 | G6PD (0.41) | G6PDCYP1B1NTSR1CES2CES1 | |
| SCHEMBL8700342 | 0.80 | MAOB (0.40) | G6PDCYP1B1CES2CES1KMT2A | |
| SCHEMBL8697883 | 0.80 | HDAC3 (0.49) | CYP1B1NTSR1KMT2AALDH1A1MAPT | |
| SCHEMBL8699062 | 0.79 | FBP1 (0.41) | KMT2AALDH1A1 | |
| SCHEMBL8697712 | 0.79 | CHRNB2 (0.41) | CES2CES1KMT2AALDH1A1MAPT | |
| SCHEMBL8696999 | 0.78 | MAPT (0.52) | CES2CES1KMT2AALDH1A1MAPT | |
| SCHEMBL8697163 | 0.76 | CES2 (0.39) | CES2CES1KMT2AALDH1A1MAPT |
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 |