Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 2/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | GABRP | O00591 | 1/20 | 0.34 |
| ▸ | GABRD | O14764 | 1/20 | 0.34 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.34 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.34 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.34 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.34 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.34 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.34 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.34 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.34 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.34 |
| ▸ | GABRE | P78334 | 1/20 | 0.34 |
| ▸ | GABRA6 | Q16445 | 1/20 | 0.34 |
| ▸ | GABRG1 | Q8N1C3 | 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 | |
|---|---|---|---|---|
| SCHEMBL28046083 | 0.76 | ALDH1A1 (0.49) | ALDH1A1TSHRHSD17B10CYP3A4POLB | |
| SCHEMBL5098502 | 0.76 | ALDH1A1 (0.51) | ALDH1A1TSHRHSD17B10CYP3A4POLB | |
| SCHEMBL28355427 | 0.71 | CYP3A4 (0.52) | ALDH1A1TSHRHSD17B10CYP3A4MAPK1 | |
| SCHEMBL2833749 | 0.69 | CYP3A4 (0.50) | ALDH1A1TSHRHSD17B10CYP3A4MAPK1 | |
| SCHEMBL7573253 | 0.69 | CYP3A4 (0.51) | ALDH1A1TSHRHSD17B10CYP3A4POLB | |
| SCHEMBL28046090 | 0.69 | KMT2A (0.46) | ALDH1A1TSHRHSD17B10CYP3A4POLB | |
| SCHEMBL8788785 | 0.69 | ALDH1A1 (0.74) | ALDH1A1TSHRHSD17B10CYP3A4POLB | |
| SCHEMBL10616152 | 0.68 | CYP3A4 (0.48) | ALDH1A1TSHRHSD17B10CYP3A4MAPK1 | |
| SCHEMBL22980415 | 0.68 | PRKCZ (0.51) | ALDH1A1HSD17B10CYP3A4HPGDMAPT | |
| SCHEMBL8766597 | 0.68 | ALDH1A1 (0.59) | ALDH1A1TSHRHSD17B10CYP3A4POLB |
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-105228983-A | The compound regulated for kinases and indication thereof | PLEXXIKON INC | 2016-01-06 | — | — | CN | disclosed |