Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | FAAH | O00519 | 1/20 | 0.32 |
| ▸ | HTR2C | P28335 | 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 | |
|---|---|---|---|---|
| SCHEMBL27101 | 0.80 | — | — | |
| SCHEMBL25391442 | 0.80 | CCR1 (0.32) | — | |
| Water SCHEMBL10389199 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL15059929 | 0.75 | — | — | |
| SCHEMBL29167167 | 0.68 | — | — | |
| Formamide SCHEMBL450424 | 0.68 | — | — | |
| SCHEMBL25390606 | 0.65 | LMNA (0.34) | — | |
| SCHEMBL28945944 | 0.64 | — | — | |
| Piperidine SCHEMBL3978161 | 0.63 | — | — | |
| Piperidine SCHEMBL27611921 | 0.63 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2016086357-A1 | METHYL OXAZOLE OREXIN RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME CORP. (US) | 2016-06-09 | — | — | WO | disclosed |