Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | P2RY10 | O00398 | 4/20 | 0.39 |
| ▸ | GPR34 | Q9UPC5 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | ESR1 | P03372 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL12735355 | 0.84 | ALDH1A1 (0.40) | ALDH1A1P2RY10GPR34KDM4ELMNA | |
| SCHEMBL12340307 | 0.83 | ALDH1A1 (0.40) | ALDH1A1P2RY10KDM4ELMNATSHR | |
| SCHEMBL7019565 | 0.77 | ALDH1A1 (0.40) | ALDH1A1P2RY10GPR34KDM4ELMNA | |
| SCHEMBL14524786 | 0.77 | ALDH1A1 (0.40) | ALDH1A1P2RY10GPR34KDM4ELMNA | |
| SCHEMBL28752339 | 0.76 | ALDH1A1 (0.43) | ALDH1A1P2RY10GPR34KDM4ELMNA | |
| SCHEMBL13297813 | 0.73 | ALOX5 (0.43) | ALDH1A1P2RY10KDM4ELMNATSHR | |
| SCHEMBL2794011 | 0.73 | APP (0.46) | ALDH1A1P2RY10KDM4ELMNACYP3A4 | |
| SCHEMBL3416179 | 0.71 | ALDH1A1 (0.44) | ALDH1A1KDM4ELMNAHSD17B10 | |
| SCHEMBL23533531 | 0.71 | CNR2 (0.41) | ALDH1A1P2RY10KDM4ELMNAHSD17B10 | |
| SCHEMBL20412531 | 0.71 | KDM4E (0.41) | ALDH1A1P2RY10KDM4ELMNA |
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-20110095229-A1 | LIQUID-CRYSTALLINE MEDIUM | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 2011-04-28 | — | — | US | disclosed |