Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.46 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.43 |
| ▸ | FBP1 | P09467 | 2/20 | 0.42 |
| ▸ | RELA | Q04206 | 1/20 | 0.41 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.40 |
| ▸ | ESR1 | P03372 | 1/20 | 0.40 |
| ▸ | KDM1A | O60341 | 1/20 | 0.39 |
| ▸ | RECQL | P46063 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 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 | |
|---|---|---|---|---|
| SCHEMBL8556341 | 0.80 | ALDH1A1 (0.46) | ALDH1A1TSHRAKR1C3NISCHFBP1 | |
| SCHEMBL1123661 | 0.78 | ALDH1A1 (0.50) | ALDH1A1TSHRAKR1C3NISCHFBP1 | |
| SCHEMBL8639781 | 0.76 | ALDH1A1 (0.43) | ALDH1A1TSHRAKR1C3FBP1RELA | |
| SCHEMBL7904469 | 0.75 | ESR1 (0.45) | ALDH1A1TSHRAKR1C3RELAAKR1C1 | |
| SCHEMBL2845203 | 0.75 | AKR1C1 (0.45) | ALDH1A1TSHRAKR1C3AKR1C1ESR1 | |
| SCHEMBL9155729 | 0.73 | FBP1 (0.41) | ALDH1A1TSHRAKR1C3NISCHFBP1 | |
| SCHEMBL11139540 | 0.73 | ALDH1A1 (0.50) | ALDH1A1TSHRAKR1C3FBP1AKR1C1 | |
| SCHEMBL8824100 | 0.73 | ALDH1A1 (0.55) | ALDH1A1TSHRAKR1C3FBP1RELA | |
| SCHEMBL1629563 | 0.73 | AKR1C3 (0.50) | ALDH1A1TSHRAKR1C3FBP1AKR1C1 | |
| SCHEMBL3912820 | 0.73 | AKR1C3 (0.55) | ALDH1A1TSHRAKR1C3FBP1AKR1C1 |
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-6398859-B1 | DENTAL; FIRST PASTE OF METHACRYLATE MONOMER, DICALCIUM PHOSPHATE, FLUORIDE SOURCE AND WATER; SECOND PASTE OF A METHACRYLATED BISPHENOL A OR A URETHANE DIMETHACRYLATE AND TETRACALCIUM PHOSPHATE; TOOTH REPAIR AND REMINERALIZATION | AMERICAN DENTAL ASSOCIATION HEALTH FOUNDATION | 2002-06-04 | — | — | US | disclosed |