Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | NAAA | Q02083 | 13/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.36 |
| ▸ | TLR4 | O00206 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL23471400 | 0.85 | ALDH1A1 (0.52) | ALDH1A1NAAASMN1; SMN2EPHX1 | |
| SCHEMBL13034075 | 0.82 | SMN1; SMN2 (0.54) | ALDH1A1NAAASMN1; SMN2EPHX1 | |
| SCHEMBL6931991 | 0.80 | SMN1; SMN2 (0.56) | ALDH1A1NAAASMN1; SMN2EPHX1 | |
| SCHEMBL19842292 | 0.80 | SMN1; SMN2 (0.56) | ALDH1A1NAAASMN1; SMN2EPHX1 | |
| SCHEMBL23471057 | 0.80 | ALDH1A1 (0.50) | ALDH1A1NAAASMN1; SMN2EPHX1 | |
| SCHEMBL1209750 | 0.78 | NLRP3 (0.40) | ALDH1A1SMN1; SMN2 | |
| SCHEMBL23471248 | 0.78 | ALDH1A1 (0.48) | ALDH1A1NAAASMN1; SMN2EPHX1 | |
| SCHEMBL11696307 | 0.78 | ALDH1A1 (0.48) | ALDH1A1NAAASMN1; SMN2EPHX1 | |
| SCHEMBL9998106 | 0.78 | NAAA (0.37) | ALDH1A1NAAASMN1; SMN2TLR4 | |
| SCHEMBL11693755 | 0.78 | ALDH1A1 (0.48) | ALDH1A1NAAASMN1; SMN2EPHX1 |
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-2582692-A1 | CYCLOHEXYL-AZETIDINYL ANTAGONISTS OF CCR2 | Janssen Pharmaceutica, N.V. (BE) | 2013-04-24 | — | — | EP | disclosed |
| WO-2011159854-A1 | CYCLOHEXYL-AZETIDINYL ANTAGONISTS OF CCR2 | JANSSEN PHARMACEUTICA NV (BE) | 2011-12-22 | — | — | WO | disclosed |