Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | USP2 | O75604 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | EGFR | P00533 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.41 |
| ▸ | PGR | P06401 | 1/20 | 0.40 |
| ▸ | AR | P10275 | 1/20 | 0.40 |
| ▸ | PARP1 | P09874 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL27775440 | 0.87 | SIGMAR1 (0.44) | TSHRCYP2D6CYP2C19MAPK1LMNA | |
| SCHEMBL27775438 | 0.84 | SCN9A (0.42) | TSHRCYP2D6CYP2C19MAPK1LMNA | |
| SCHEMBL27775752 | 0.80 | ADORA2A (0.46) | TSHRCYP2D6CYP2C19MAPK1LMNA | |
| SCHEMBL2452934 | 0.77 | NR1H2 (0.39) | TSHRCYP2D6CYP2C19USP2CYP1A2 | |
| SCHEMBL27673864 | 0.76 | TRPA1 (0.39) | TSHRCYP2D6CYP2C19MAPK1LMNA | |
| SCHEMBL27673874 | 0.76 | NR1H2 (0.55) | NR1H2 | |
| SCHEMBL28276978 | 0.76 | CYP3A4 (0.52) | TSHRCYP2D6CYP2C19MAPK1LMNA | |
| SCHEMBL2451081 | 0.76 | ENPP1 (0.42) | TSHRCYP2D6CYP2C19LMNAUSP2 | |
| SCHEMBL27765122 | 0.74 | NR1H2 (0.50) | TSHRCYP2D6CYP2C19ALDH1A1CYP1A2 | |
| SCHEMBL13313198 | 0.72 | ADORA2A (0.51) | LMNAALDH1A1EGFRADORA2AHPGD |
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-101679311-A | Quinazoline compound | WYETH CORP | 2010-03-24 | — | — | CN | disclosed |