Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 8/20 | 0.50 |
| ▸ | BCHE | P06276 | 1/20 | 0.44 |
| ▸ | ACHE | P22303 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | HTR1A | P08908 | 1/20 | 0.40 |
| ▸ | DRD2 | P14416 | 1/20 | 0.40 |
| ▸ | HTR2A | P28223 | 1/20 | 0.40 |
| ▸ | HTR7 | P34969 | 1/20 | 0.40 |
| ▸ | HTR6 | P50406 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL25168044 | 1.00 | MAOB (0.50) | MAOBBCHEACHEPOLBALDH1A1 | |
| SCHEMBL25167983 | 0.87 | ACHE (0.47) | MAOBBCHEACHEPOLBALDH1A1 | |
| SCHEMBL30422935 | 0.86 | VCAM1 (0.46) | MAOBBCHEACHEPOLBALDH1A1 | |
| SCHEMBL25166781 | 0.86 | VCAM1 (0.46) | MAOBBCHEACHEPOLBALDH1A1 | |
| SCHEMBL13045338 | 0.80 | HTR1A (0.47) | ALDH1A1NPSR1CYP2D6CYP2C19HTR1A | |
| SCHEMBL30502822 | 0.80 | KMT2A (0.44) | NPSR1MAPK1MEN1KMT2AGAA | |
| SCHEMBL2521370 | 0.80 | KMT2A (0.44) | NPSR1MAPK1MEN1KMT2AGAA | |
| SCHEMBL1024120 | 0.78 | MEN1 (0.54) | MAOBACHEPOLBALDH1A1NPSR1 | |
| SCHEMBL2521569 | 0.77 | KMT2A (0.46) | POLBALDH1A1NPSR1MEN1KMT2A | |
| SCHEMBL1024490 | 0.76 | MEN1 (0.47) | MAOBPOLBALDH1A1NPSR1SMN1; SMN2 |
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-4427028-A2 | METHODS TO QUANTIFY AFFINITY AND SELECTIVITY OF COMPOUNDS FOR PROTEINS IN LIVING CELLS | Ohio State Innovation Foundation (US) | 2024-09-11 | — | — | EP | disclosed |
| WO-2023077162-A2 | METHODS TO QUANTIFY AFFINITY AND SELECTIVITY OF COMPOUNDS FOR PROTEINS IN LIVING CELLS | OHIO STATE INNOVATION FOUNDATION (US) | 2023-05-04 | — | — | WO | disclosed |