Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | PRKCA | P17252 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.39 |
| ▸ | NAAA | Q02083 | 1/20 | 0.39 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL11982177 | 1.00 | ALDH1A1 (0.42) | ALDH1A1PRKCAMAPTEPHX2NAAA | |
| SCHEMBL8633605 | 0.89 | ALDH1A1 (0.50) | ALDH1A1PRKCAEPHX2NAAA | |
| SCHEMBL10103543 | 0.89 | ALDH1A1 (0.50) | ALDH1A1PRKCAEPHX2NAAA | |
| SCHEMBL453054 | 0.89 | ALDH1A1 (0.50) | ALDH1A1PRKCAEPHX2NAAA | |
| SCHEMBL879907 | 0.87 | ALDH1A1 (0.42) | ALDH1A1EPHX2 | |
| Hydrochloric Acid SCHEMBL28237612 | 0.87 | ALDH1A1 (0.49) | ALDH1A1PRKCAEPHX2NAAA | |
| SCHEMBL187699 | 0.87 | ALDH1A1 (0.48) | ALDH1A1EPHX2NAAA | |
| SCHEMBL16214727 | 0.84 | ALDH1A1 (0.58) | ALDH1A1MAPT | |
| SCHEMBL2249573 | 0.84 | EPHX2 (0.50) | ALDH1A1PRKCAEPHX2NAAA | |
| SCHEMBL8694308 | 0.84 | EPHX2 (0.49) | ALDH1A1EPHX2NAAA |
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-8877749-B2 | Spirocyclic compounds as modulators of chemokine receptor activity | Bristol-Myers Squibbs Company (US) | 2014-11-04 | — | — | US | disclosed |