Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 3/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | HKDC1 | Q2TB90 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL3696029 | 0.95 | KMT2A (0.51) | ALDH1A1KMT2AMEN1HPGDNPSR1 | |
| SCHEMBL3421894 | 0.89 | ALDH1A1 (0.50) | ALDH1A1KMT2AMEN1HPGDNPSR1 | |
| SCHEMBL3692474 | 0.86 | KMT2A (0.55) | ALDH1A1KMT2AMEN1HPGDNPSR1 | |
| SCHEMBL3691375 | 0.84 | KMT2A (0.51) | ALDH1A1KMT2AMEN1HPGDNPSR1 | |
| SCHEMBL8637449 | 0.83 | ALDH1A1 (0.55) | ALDH1A1KMT2AMEN1HPGDNPSR1 | |
| SCHEMBL3423160 | 0.83 | KMT2A (0.44) | ALDH1A1KMT2AMEN1HPGDNPSR1 | |
| SCHEMBL3807653 | 0.82 | KMT2A (0.51) | ALDH1A1KMT2AMEN1HPGDNPSR1 | |
| SCHEMBL13338203 | 0.82 | KMT2A (0.43) | ALDH1A1KMT2AMEN1HPGDNPSR1 | |
| SCHEMBL3583472 | 0.82 | KMT2A (0.44) | ALDH1A1KMT2AMEN1HPGDNPSR1 | |
| SCHEMBL12102324 | 0.82 | KMT2A (0.55) | ALDH1A1KMT2AMEN1HPGDNPSR1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2059499-A1 | PROCESSES OF PREPARING ASYMMETRIC DINITROBENZAMIDE MUSTARD COMPOUNDS, INTERMEDIATE COMPOUNDS USEFUL THEREIN AND PRODUCTS OBTAINED THEREFROM | Auckland Uniservices Limited (NZ) | 2009-05-20 | — | — | EP | disclosed |
| WO-2008030112-A1 | PROCESSES OF PREPARING ASYMMETRIC DINITROBENZAMIDE MUSTARD COMPOUNDS, INTERMEDIATE COMPOUNDS USEFUL THEREIN AND PRODUCTS OBTAINED THEREFROM | AUCKLAND UNISERVICES LIMITED (NZ) | 2008-03-13 | — | — | WO | disclosed |