Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 4/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.44 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.40 |
| ▸ | HPGDS | O60760 | 1/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.36 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.36 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 3/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | CASP3 | P42574 | 1/20 | 0.34 |
| ▸ | CASP8 | Q14790 | 1/20 | 0.34 |
| ▸ | AKT1 | P31749 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 3/20 | 0.34 |
| ▸ | MAPT | P10636 | 3/20 | 0.34 |
| ▸ | RAB9A | P51151 | 2/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | THRB | P10828 | 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 | |
|---|---|---|---|---|
| SCHEMBL31270589 | 0.79 | MEN1 (0.51) | MEN1KMT2ANFE2L2HDAC1HDAC2 | |
| SCHEMBL31271238 | 0.77 | MEN1 (0.46) | MEN1KMT2ANFE2L2HDAC1HDAC2 | |
| SCHEMBL31271114 | 0.74 | ALDH1A1 (0.52) | MEN1KMT2ANFE2L2HDAC1HDAC2 | |
| SCHEMBL31271184 | 0.72 | MEN1 (0.44) | MEN1KMT2ANFE2L2HDAC1HDAC2 | |
| SCHEMBL28983778 | 0.72 | HPGDS (0.48) | MEN1KMT2AHPGDSHPGDALDH1A1 | |
| SCHEMBL31270825 | 0.71 | NPC1 (0.51) | MEN1KMT2AALDH1A1MAPK1GAA | |
| SCHEMBL31270926 | 0.71 | NPC1 (0.46) | MEN1KMT2ANFE2L2ALDH1A1MAPK1 | |
| SCHEMBL31270851 | 0.70 | MEN1 (0.47) | MEN1KMT2ANFE2L2HDAC1HDAC2 | |
| SCHEMBL31270730 | 0.70 | MEN1 (0.47) | MEN1KMT2ANFE2L2HDAC1HDAC2 | |
| SCHEMBL9586347 | 0.68 | — | — |
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-2024220035-A1 | THIOL-SPECIFIC SILICON-CONTAINING BIOCOMPATIBLE CLICK REAGENT: BETA-SILYL ALKYNYL CARBONYL COMPOUNDS | NANYANG TECHNOLOGICAL UNIVERSITY (SG) | 2024-10-24 | — | — | WO | disclosed |