Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.54 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.54 |
| ▸ | MAPT | P10636 | 3/20 | 0.54 |
| ▸ | TSHR | P16473 | 3/20 | 0.53 |
| ▸ | LMNA | P02545 | 4/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.45 |
| ▸ | NOS1 | P29475 | 3/20 | 0.41 |
| ▸ | ACHE | P22303 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | NOS3 | P29474 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL1177204 | 0.86 | TSHR (0.57) | ALDH1A1TDP1MAPTTSHRLMNA | |
| SCHEMBL11291473 | 0.80 | ALDH1A1 (0.62) | ALDH1A1TDP1MAPTTSHRLMNA | |
| SCHEMBL28100020 | 0.80 | ALDH1A1 (0.45) | ALDH1A1TDP1MAPTTSHRLMNA | |
| SCHEMBL6239746 | 0.79 | TSHR (0.44) | ALDH1A1TDP1MAPTTSHRLMNA | |
| SCHEMBL6792424 | 0.78 | TSHR (0.49) | ALDH1A1TDP1MAPTTSHRLMNA | |
| SCHEMBL28425336 | 0.78 | NPC1 (0.45) | ALDH1A1TDP1MAPTTSHRLMNA | |
| SCHEMBL11438531 | 0.77 | ALDH1A1 (0.53) | ALDH1A1TDP1MAPTTSHRLMNA | |
| SCHEMBL4162102 | 0.74 | TSHR (0.55) | ALDH1A1TDP1MAPTTSHRLMNA | |
| SCHEMBL27605699 | 0.73 | GPR35 (0.46) | ALDH1A1TDP1MAPTTSHRLMNA | |
| SCHEMBL30883193 | 0.73 | TSHR (0.57) | ALDH1A1TDP1MAPTTSHRLMNA |
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-105884699-A | 4-substituted anilinoquinazoline derivatives, and preparation method and application thereof | 中国药科大学 | 2016-08-24 | — | — | CN | disclosed |