Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 15/20 | 0.54 |
| ▸ | ADRA2A | P08913 | 5/20 | 0.44 |
| ▸ | ADRA2B | P18089 | 3/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.38 |
| ▸ | ADRA1A | P35348 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL15319487 | 0.76 | AURKA (0.41) | — | |
| SCHEMBL26259992 | 0.72 | ADRA2A (0.66) | IDO1ADRA2AADRA2BCYP3A4 | |
| SCHEMBL871858 | 0.71 | IDO1 (0.71) | IDO1ADRA2AADRA2BCYP3A4 | |
| SCHEMBL12676754 | 0.70 | IDO1 (1.00) | IDO1ADRA2AADRA2BCYP3A4 | |
| SCHEMBL29746276 | 0.70 | ERN1 (0.34) | — | |
| SCHEMBL2880260 | 0.69 | IDO1 (0.54) | IDO1ADRA2ACYP3A4 | |
| SCHEMBL31190896 | 0.69 | PDK2 (0.41) | ADRA1A | |
| SCHEMBL3794351 | 0.69 | TDP1 (0.58) | — | |
| SCHEMBL29746116 | 0.68 | ALDH1A1 (0.38) | — | |
| SCHEMBL29746208 | 0.68 | CYP17A1 (0.41) | — |
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-3997096-B1 | NEW HETEROCYCLIC COMPOUNDS | HOFFMANN LA ROCHE (CH) | 2024-08-28 | — | — | EP | claimed |