Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | SLC6A9 | P48067 | 3/20 | 0.50 |
| ▸ | MGLL | Q99685 | 1/20 | 0.50 |
| ▸ | SLC6A5 | Q9Y345 | 1/20 | 0.50 |
| ▸ | HTR2A | P28223 | 1/20 | 0.49 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.48 |
| ▸ | CA12 | O43570 | 1/20 | 0.48 |
| ▸ | CA2 | P00918 | 1/20 | 0.48 |
| ▸ | CA9 | Q16790 | 1/20 | 0.48 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | RECQL | P46063 | 1/20 | 0.46 |
| ▸ | SERPINE1 | P05121 | 1/20 | 0.46 |
| ▸ | VDR | P11473 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL31349221 | 0.80 | SLC6A9 (0.52) | ALDH1A1SLC6A9MGLLSLC6A5ENPP2 | |
| SCHEMBL31349202 | 0.76 | SLC6A9 (0.57) | SLC6A9MGLLSLC6A5ENPP2CA12 | |
| SCHEMBL31349238 | 0.74 | SLC6A9 (0.52) | SLC6A9MGLLSLC6A5ENPP2CA12 | |
| SCHEMBL27648763 | 0.72 | SLC6A9 (0.53) | ALDH1A1SLC6A9MGLLSLC6A5ENPP2 | |
| SCHEMBL4420325 | 0.70 | SLC6A9 (0.73) | ALDH1A1SLC6A9SLC6A5ENPP2MAPT | |
| SCHEMBL2404063 | 0.70 | CA12 (0.69) | ALDH1A1CA12CA2CA9AKR1C3 | |
| SCHEMBL27664248 | 0.70 | AKR1C3 (0.85) | ALDH1A1SLC6A9SLC6A5ENPP2CA12 | |
| SCHEMBL30976428 | 0.69 | MEN1 (0.55) | ALDH1A1HTTMAPTCYP3A4GAA | |
| SCHEMBL31349224 | 0.69 | SLC2A1 (0.63) | ALDH1A1SLC6A9SLC6A5ENPP2CA12 | |
| SCHEMBL12082811 | 0.69 | LMNA (0.68) | ALDH1A1CA12CA2CA9AKR1C3 |
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-4743446-A1 | NITRO-CONTAINING COMPOUNDS THAT KILL MYCOBACTERIA | Board of Trustees of Michigan State University (US) | 2026-05-20 | — | — | EP | disclosed |
| WO-2025015066-A1 | NITRO-CONTAINING COMPOUNDS THAT KILL MYCOBACTERIA | BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY (US) | 2025-01-16 | — | — | WO | disclosed |