Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 | P31645 | 5/20 | 0.53 |
| ▸ | SLC6A2 | P23975 | 4/20 | 0.53 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | IDO1 | P14902 | 1/20 | 0.42 |
| ▸ | KDM1A | O60341 | 1/20 | 0.42 |
| ▸ | HTR2C | P28335 | 4/20 | 0.42 |
| ▸ | EP300 | Q09472 | 1/20 | 0.41 |
| ▸ | BCHE | P06276 | 1/20 | 0.41 |
| ▸ | ACHE | P22303 | 1/20 | 0.41 |
| ▸ | BACE1 | P56817 | 1/20 | 0.41 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.39 |
| ▸ | CXCR3 | P49682 | 1/20 | 0.39 |
| ▸ | DAO | P14920 | 1/20 | 0.39 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL23545645 | 0.90 | IDO1 (0.47) | SLC6A4SLC6A2SLC6A3IDO1BCHE | |
| Hydrochloric Acid SCHEMBL30525083 | 0.88 | IDO1 (0.50) | SLC6A4SLC6A2SLC6A3IDO1BCHE | |
| SCHEMBL31136401 | 0.87 | IDO1 (0.45) | SLC6A4SLC6A2SLC6A3IDO1BCHE | |
| SCHEMBL27246574 | 0.86 | IDO1 (0.44) | SLC6A4SLC6A2SLC6A3IDO1KDM1A | |
| SCHEMBL25570743 | 0.82 | BCHE (0.56) | SLC6A4SLC6A2SLC6A3BCHEACHE | |
| SCHEMBL31239598 | 0.80 | SLC6A4 (0.40) | SLC6A4SLC6A2SLC6A3IDO1KDM1A | |
| SCHEMBL31137574 | 0.80 | IDO1 (0.44) | SLC6A4SLC6A2SLC6A3IDO1KDM1A | |
| SCHEMBL25145955 | 0.78 | SLC6A4 (0.56) | SLC6A4SLC6A2SLC6A3IDO1HTR2C | |
| SCHEMBL24393407 | 0.78 | BCHE (0.57) | SLC6A4SLC6A2MAPK1KDM1AHTR2C | |
| SCHEMBL30700567 | 0.78 | CARM1 (0.45) | SLC6A4SLC6A2SLC6A3IDO1BCHE |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023144160-A1 | NEW HETEROCYCLIC COMPOUNDS | F. HOFFMANN-LA ROCHE AG (CH) | 2023-08-03 | — | — | WO | disclosed |
| WO-2023062049-A1 | HETEROCYCLIC COMPOUNDS | F. HOFFMANN-LA ROCHE AG (CH) | 2023-04-20 | — | — | WO | disclosed |