Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 16/20 | 0.79 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | CNR2 | P34972 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL21496492 | 1.00 | IDO1 (0.79) | IDO1ALDH1A1PKMCNR2CYP1A2 | |
| SCHEMBL21504264 | 1.00 | IDO1 (0.79) | IDO1ALDH1A1PKMCNR2CYP1A2 | |
| SCHEMBL24117963 | 0.89 | IDO1 (1.00) | IDO1 | |
| SCHEMBL24118078 | 0.89 | IDO1 (1.00) | IDO1 | |
| SCHEMBL21504027 | 0.87 | IDO1 (0.84) | IDO1CYP1A2CYP2C19MAPT | |
| SCHEMBL30055192 | 0.87 | IDO1 (0.84) | IDO1CYP1A2CYP2C19MAPT | |
| SCHEMBL21504016 | 0.87 | IDO1 (0.84) | IDO1CYP1A2CYP2C19MAPT | |
| SCHEMBL30056908 | 0.87 | IDO1 (0.84) | IDO1CYP1A2CYP2C19MAPT | |
| SCHEMBL24118299 | 0.86 | IDO1 (1.00) | IDO1 | |
| SCHEMBL21496273 | 0.86 | IDO1 (1.00) | IDO1 |
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-3781142-A1 | NOVEL [1.1.1] BICYCLO COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE INHIBITORS | Merck Sharp&Dohme Corp. (US) | 2021-02-24 | — | — | EP | claimed |
| WO-2019204180-A1 | NOVEL [1.1.1] BICYCLO COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2019-10-24 | — | — | WO | claimed |