Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | MGLL | Q99685 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
| ▸ | BCHE | P06276 | 2/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.39 |
| ▸ | GSK3A | P49840 | 1/20 | 0.38 |
| ▸ | GSK3B | P49841 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | ELANE | P08246 | 1/20 | 0.38 |
| ▸ | CES2 | O00748 | 1/20 | 0.38 |
| ▸ | CES1 | P23141 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | BLM | P54132 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL14620181 | 0.90 | MGLL (0.48) | KMT2ATSHRMGLLALDH1A1MEN1 | |
| SCHEMBL14620057 | 0.78 | DRD1 (0.35) | KMT2ATSHRALDH1A1MEN1KDM4E | |
| SCHEMBL14620053 | 0.75 | MGLL (0.38) | KMT2ATSHRMGLLALDH1A1MEN1 | |
| SCHEMBL2603155 | 0.74 | PTGS2 (0.33) | MGLLPTGS2GSK3AGSK3BNR1H2 | |
| SCHEMBL14620069 | 0.74 | NR1H2 (0.45) | BCHEPTGS2KDM4ENR1H2NR1H3 | |
| SCHEMBL6851073 | 0.71 | ALDH1A1 (0.50) | KMT2AMGLLALDH1A1MEN1GAA | |
| 3,4-Dimethylphenylmaleimide SCHEMBL5074358 | 0.69 | PARP1 (0.53) | TSHRMGLLALDH1A1GAABCHE | |
| SCHEMBL7080105 | 0.68 | MGLL (0.46) | KMT2AMGLLALDH1A1MEN1GAA | |
| SCHEMBL14620062 | 0.68 | COMT (0.40) | KMT2AMGLLALDH1A1MEN1PTGS2 | |
| SCHEMBL30286549 | 0.68 | NR1H2 (0.50) | KMT2ATSHRMGLLALDH1A1MEN1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2007003520-A1 | FLUORESCENT DIKETOPYRROLOPYRROLES AND DERIVATIVES | CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) | 2007-01-11 | — | — | WO | disclosed |