Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.57 |
| ▸ | PKM | P14618 | 1/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.53 |
| ▸ | MCOLN3 | Q8TDD5 | 1/20 | 0.53 |
| ▸ | MEN1 | O00255 | 3/20 | 0.52 |
| ▸ | LMNA | P02545 | 2/20 | 0.52 |
| ▸ | POLB | P06746 | 2/20 | 0.52 |
| ▸ | ACHE | P22303 | 1/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.51 |
| ▸ | NPC1 | O15118 | 1/20 | 0.51 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL2360974 | 0.77 | ALDH1A1 (0.84) | ALDH1A1PKMKMT2AMEN1LMNA | |
| SCHEMBL18794812 | 0.76 | ALDH1A1 (0.69) | ALDH1A1PKMKMT2AMCOLN3MEN1 | |
| SCHEMBL3311099 | 0.75 | ACHE (0.72) | ALDH1A1PKMKMT2AMCOLN3MEN1 | |
| SCHEMBL3310179 | 0.75 | ACHE (0.76) | ALDH1A1PKMKMT2AMCOLN3MEN1 | |
| SCHEMBL5347059 | 0.74 | ALDH1A1 (0.97) | ALDH1A1PKMKMT2AMCOLN3MEN1 | |
| SCHEMBL29432508 | 0.74 | ALDH1A1 (0.73) | ALDH1A1PKMKMT2AMEN1LMNA | |
| SCHEMBL6950021 | 0.73 | KMT2A (0.62) | ALDH1A1PKMKMT2AMCOLN3MEN1 | |
| SCHEMBL28137833 | 0.73 | ALDH1A1 (1.00) | ALDH1A1PKMKMT2AMEN1LMNA | |
| SCHEMBL1791317 | 0.72 | KMT2A (0.58) | ALDH1A1PKMKMT2AMCOLN3MEN1 | |
| SCHEMBL5702208 | 0.72 | NPC1 (0.58) | ALDH1A1PKMKMT2AMCOLN3MEN1 |
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-4313156-A1 | DISULFIDE-BASED PRODRUG COMPOUNDS | Ludwig-Maximilians-Universität München (DE) | 2024-02-07 | — | — | EP | disclosed |
| WO-2022200347-A1 | DISULFIDE-BASED PRODRUG COMPOUNDS | LUDWIG-MAXIMILIANS-UNIVERSITÄT MÜNCHEN (DE) | 2022-09-29 | — | — | WO | disclosed |