Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DPP4 | P27487 | 14/20 | 0.35 |
| ▸ | DPP7 | Q9UHL4 | 13/20 | 0.35 |
| ▸ | DPP8 | Q6V1X1 | 8/20 | 0.35 |
| ▸ | DPP9 | Q86TI2 | 4/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | FAP | Q12884 | 1/20 | 0.30 |
| ▸ | PITRM1 | Q5JRX3 | 1/20 | 0.30 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL29606768 | 1.00 | DPP4 (0.35) | DPP4DPP7DPP8DPP9ALDH1A1 | |
| SCHEMBL12146051 | 0.83 | — | — | |
| SCHEMBL1369209 | 0.83 | — | — | |
| SCHEMBL1696847 | 0.83 | — | — | |
| Hydrochloric Acid SCHEMBL17182943 | 0.81 | KDM4E (0.30) | — | |
| Hydrochloric Acid SCHEMBL20699870 | 0.81 | KDM4E (0.30) | — | |
| Hydrochloric Acid SCHEMBL1369039 | 0.81 | KDM4E (0.30) | — | |
| Hydrochloric Acid SCHEMBL7835793 | 0.74 | ALOX5 (0.32) | ALDH1A1TSHR | |
| SCHEMBL15755517 | 0.73 | TP53 (0.43) | DPP4 | |
| SCHEMBL19955180 | 0.73 | TP53 (0.43) | DPP4 |
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-4251149-A1 | MODIFIED ISOINDOLINONES AS GLUCOSYLCERAMIDE SYNTHASE INHIBITORS | Merck Sharp & Dohme LLC (US) | 2023-10-04 | — | — | EP | disclosed |
| WO-2022115301-A1 | MODIFIED ISOINDOLINONES AS GLUCOSYLCERAMIDE SYNTHASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2022-06-02 | — | — | WO | disclosed |