Predicted protein targets (top 2)
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 | |
|---|---|---|---|---|
| SCHEMBL27190843 | 0.84 | GABRA1 (0.36) | AKR1B1 | |
| SCHEMBL377351 | 0.78 | AKR1B1 (0.43) | AKR1B1 | |
| Hydrochloric Acid SCHEMBL25388268 | 0.77 | TAAR1 (0.39) | — | |
| SCHEMBL5504539 | 0.73 | KCNA5 (0.36) | — | |
| SCHEMBL29985351 | 0.72 | GPBAR1 (0.39) | TYK2 | |
| SCHEMBL29985884 | 0.72 | RAB9A (0.34) | TYK2 | |
| SCHEMBL25389241 | 0.72 | RAB9A (0.34) | TYK2 | |
| SCHEMBL1807270 | 0.67 | CES2 (0.39) | AKR1B1 | |
| SCHEMBL30910250 | 0.67 | ALDH1A1 (0.32) | — | |
| SCHEMBL26239491 | 0.67 | IDO1 (0.34) | — |
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-4346815-A1 | HETEROCYCLIC COMPOUNDS AND METHODS OF USE | Schrödinger, Inc. (US) | 2024-04-10 | — | — | EP | disclosed |
| WO-2022251497-A1 | HETEROCYCLIC COMPOUNDS AND METHODS OF USE | SCHRÖDINGER, INC. (US) | 2022-12-01 | — | — | WO | disclosed |