Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 8/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.44 |
| ▸ | CCR2 | P41597 | 1/20 | 0.41 |
| ▸ | P2RY2 | P41231 | 1/20 | 0.41 |
| ▸ | GPR17 | Q13304 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | KDM1A | O60341 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 1/20 | 0.41 |
| ▸ | HTR2B | P41595 | 1/20 | 0.41 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 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 | |
|---|---|---|---|---|
| SCHEMBL20898715 | 0.90 | IDO1 (0.53) | IDO1KDM4EALDH1A1MEN1KMT2A | |
| SCHEMBL20898950 | 0.81 | IDO1 (0.61) | IDO1KDM4EALDH1A1MEN1KMT2A | |
| SCHEMBL20898982 | 0.78 | IDO1 (0.75) | IDO1KDM4EALDH1A1MEN1KMT2A | |
| SCHEMBL20910452 | 0.77 | IDO1 (0.57) | IDO1KDM4EALDH1A1MEN1KMT2A | |
| SCHEMBL29559917 | 0.77 | IDO1 (0.57) | IDO1KDM4EALDH1A1MEN1KMT2A | |
| SCHEMBL20898935 | 0.77 | IDO1 (0.50) | IDO1KDM4EALDH1A1MEN1KMT2A | |
| SCHEMBL29631509 | 0.74 | IDO1 (0.75) | IDO1KDM4EALDH1A1MEN1KMT2A | |
| SCHEMBL20899512 | 0.74 | IDO1 (0.75) | IDO1KDM4EALDH1A1MEN1KMT2A | |
| SCHEMBL20703461 | 0.74 | MEN1 (0.52) | IDO1ALDH1A1MEN1KMT2ACCR2 | |
| SCHEMBL20910428 | 0.73 | IDO1 (0.78) | IDO1HDAC1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3694503-B1 | NOVEL SUBSTITUTED CYCLOBUTYLPYRIDINE AND CYCLOBUTYLPYRIMIDINE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS | MERCK SHARP & DOHME LLC (US) | 2023-08-02 | — | — | EP | disclosed |