Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.51 |
| ▸ | CCR1 | P32246 | 9/20 | 0.45 |
| ▸ | NR1D1 | P20393 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | KLK7 | P49862 | 1/20 | 0.43 |
| ▸ | USP30 | Q70CQ3 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | UCHL1 | P09936 | 2/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL13769344 | 0.87 | ALDH1A1 (0.50) | ALDH1A1CCR1NR1D1NPC1MEN1 | |
| SCHEMBL13769193 | 0.86 | ALDH1A1 (0.49) | ALDH1A1CCR1NR1D1NPC1MEN1 | |
| SCHEMBL13769192 | 0.84 | ALDH1A1 (0.48) | ALDH1A1CCR1NR1D1NPC1MEN1 | |
| SCHEMBL3987554 | 0.82 | CCR1 (0.66) | ALDH1A1CCR1USP30 | |
| SCHEMBL3987553 | 0.82 | CCR1 (0.66) | ALDH1A1CCR1USP30 | |
| SCHEMBL3887009 | 0.79 | ALDH1A1 (0.52) | ALDH1A1NPC1MEN1KMT2AKLK7 | |
| SCHEMBL3887013 | 0.79 | ALDH1A1 (0.52) | ALDH1A1NPC1MEN1KMT2AKLK7 | |
| SCHEMBL3887005 | 0.79 | ALDH1A1 (0.52) | ALDH1A1NPC1MEN1KMT2AKLK7 | |
| SCHEMBL3981116 | 0.79 | CCR1 (0.57) | ALDH1A1CCR1NPC1USP30LMNA | |
| SCHEMBL3981118 | 0.79 | CCR1 (0.57) | ALDH1A1CCR1NPC1USP30LMNA |
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-2009082526-A2 | ORTHO PYRROLIDINE, BENZYL-SUBSTITUTED HETEROCYCLE CCR1 ANTAGONISTS FOR AUTOIMMUNE DISEASES & INFLAMMATION | PHARMACOPEIA, INC. (US) | 2009-07-02 | — | — | WO | disclosed |