Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 7/20 | 0.55 |
| ▸ | NOS1 | P29475 | 1/20 | 0.49 |
| ▸ | NOS2 | P35228 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL1726234 | 0.98 | TAAR1 (0.57) | TAAR1NOS1NOS2 | |
| SCHEMBL11956428 | 0.85 | — | — | |
| SCHEMBL10339612 | 0.80 | ALDH1A1 (0.44) | TAAR1NOS1NOS2 | |
| SCHEMBL29117666 | 0.80 | ALDH1A1 (0.44) | TAAR1NOS1NOS2 | |
| SCHEMBL6278947 | 0.78 | NOS2 (0.44) | TAAR1NOS1NOS2 | |
| SCHEMBL7854852 | 0.77 | ALDH1A1 (0.41) | TAAR1NOS1NOS2 | |
| SCHEMBL7651855 | 0.77 | ALDH1A1 (0.41) | TAAR1NOS1NOS2 | |
| SCHEMBL7846606 | 0.77 | ALDH1A1 (0.41) | TAAR1NOS1NOS2 | |
| SCHEMBL7857240 | 0.77 | ALDH1A1 (0.41) | TAAR1NOS1NOS2 | |
| SCHEMBL7854308 | 0.77 | ALDH1A1 (0.41) | TAAR1NOS1NOS2 |
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-5731337-A | Conformationally rigid bicycle and adamantane derivatives useful as α2 | ALLERGAN (US) | 1998-03-24 | — | — | US | claimed |