Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 3/20 | 0.37 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.31 |
| ▸ | MTOR | P42345 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL23219744 | 0.79 | TRPA1 (0.33) | TRPA1PIK3CAMTOR | |
| SCHEMBL20047714 | 0.79 | — | — | |
| SCHEMBL6120503 | 0.74 | OPRM1 (0.38) | TRPA1 | |
| SCHEMBL22752415 | 0.74 | ALDH1A1 (0.31) | — | |
| SCHEMBL23219576 | 0.74 | — | — | |
| SCHEMBL19226623 | 0.72 | TSHR (0.34) | — | |
| SCHEMBL15979336 | 0.72 | — | — | |
| SCHEMBL27437330 | 0.72 | ALDH1A1 (0.32) | — | |
| SCHEMBL23126250 | 0.71 | — | — | |
| SCHEMBL23346663 | 0.70 | CYP2B6 (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-9663522-B2 | 3-aminocycloalkyl compounds as RORgammaT inhibitors and uses thereof | MERCK SHARP & DOHME CORP. (US) | 2017-05-30 | — | — | US | disclosed |