Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 3/20 | 0.51 |
| ▸ | HPGD | P15428 | 2/20 | 0.51 |
| ▸ | MEN1 | O00255 | 1/20 | 0.51 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.51 |
| ▸ | HTT | P42858 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.40 |
| ▸ | HKDC1 | Q2TB90 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.38 |
| ▸ | MAPT | P10636 | 3/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL3694331 | 0.92 | KMT2A (0.50) | KMT2AHPGDMEN1NPSR1HTT | |
| SCHEMBL3686404 | 0.90 | KMT2A (0.42) | KMT2AHPGDMEN1NPSR1HTT | |
| SCHEMBL366281 | 0.89 | KMT2A (0.51) | KMT2AHPGDMEN1NPSR1HTT | |
| SCHEMBL3692474 | 0.89 | KMT2A (0.55) | KMT2AHPGDMEN1NPSR1HTT | |
| SCHEMBL3685725 | 0.83 | KMT2A (0.41) | KMT2AHPGDMEN1NPSR1HTT | |
| SCHEMBL3983582 | 0.82 | ALDH1A1 (0.49) | KMT2AHPGDMEN1NPSR1HTT | |
| SCHEMBL3804270 | 0.82 | KMT2A (0.48) | KMT2AHPGDMEN1NPSR1HTT | |
| SCHEMBL3421894 | 0.81 | ALDH1A1 (0.50) | KMT2AHPGDMEN1NPSR1HTT | |
| SCHEMBL3686829 | 0.81 | KMT2A (0.50) | KMT2AHPGDMEN1NPSR1HTT | |
| SCHEMBL3691401 | 0.81 | KMT2A (0.50) | KMT2AHPGDMEN1NPSR1HTT |
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-2010044685-A1 | NITROPHENYL MUSTARD ALCOHOLS, THEIR CORRESPONDING PHOSPHATES AND THEIR USE AS TARGETED CYTOTOXIC AGENTS | AUCKLAND UNISERVICES LIMITED (NZ) | 2010-04-22 | — | — | WO | disclosed |