Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 5/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
| ▸ | NOS3 | P29474 | 1/20 | 0.41 |
| ▸ | NOS1 | P29475 | 1/20 | 0.41 |
| ▸ | NOS2 | P35228 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | RECQL | P46063 | 1/20 | 0.38 |
| ▸ | ACHE | P22303 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | TYMS | P04818 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| Ammonia Solution, Strong SCHEMBL27768089 | 0.98 | ALDH1A1 (0.43) | ALDH1A1MAPTTSHRTDP1NOS3 | |
| Formamide SCHEMBL29243328 | 0.91 | NOS3 (0.39) | ALDH1A1MAPTTSHRTDP1NOS3 | |
| SCHEMBL29243315 | 0.91 | NOS3 (0.39) | ALDH1A1MAPTTSHRTDP1NOS3 | |
| SCHEMBL12318445 | 0.81 | ALDH1A1 (0.43) | ALDH1A1MAPTTSHRTDP1KDM4E | |
| SCHEMBL31481295 | 0.79 | ALDH1A1 (0.42) | ALDH1A1MAPTTSHRTDP1KDM4E | |
| SCHEMBL31508124 | 0.79 | ALDH1A1 (0.41) | ALDH1A1MAPTTDP1KDM4EGAA | |
| SCHEMBL2728835 | 0.79 | ALDH1A1 (0.41) | ALDH1A1MAPTTDP1KDM4EGAA | |
| SCHEMBL12588533 | 0.79 | ALDH1A1 (0.42) | ALDH1A1MAPTTSHRTDP1KDM4E | |
| SCHEMBL2488382 | 0.79 | ALDH1A1 (0.41) | ALDH1A1MAPTTDP1KDM4EGAA | |
| SCHEMBL30227675 | 0.79 | CTSB (0.44) | ALDH1A1MAPTTSHRTDP1KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| CN-105228620-A | N-acyl-N' - (pyridin-2-yl) ureas and analogs exhibiting anti-cancer and anti-proliferative activity | DECIPHERA PHARMACEUTICALS LLC | 2016-01-06 | — | — | CN | disclosed |