Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | CA3 | P07451 | 1/20 | 0.32 |
| ▸ | CA4 | P22748 | 1/20 | 0.32 |
| ▸ | CA6 | P23280 | 1/20 | 0.32 |
| ▸ | CA5A | P35218 | 1/20 | 0.32 |
| ▸ | CA7 | P43166 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.32 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.32 |
| ▸ | HTR1A | P08908 | 1/20 | 0.30 |
| ▸ | DRD2 | P14416 | 1/20 | 0.30 |
| ▸ | HTR2A | P28223 | 1/20 | 0.30 |
| ▸ | HTR7 | P34969 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL21473596 | 0.80 | PIK3CD (0.34) | ALDH1A1TSHRTDP1 | |
| SCHEMBL21473602 | 0.77 | PRMT3 (0.39) | ALDH1A1TSHRTDP1 | |
| SCHEMBL24861985 | 0.76 | ALDH1A1 (0.43) | ALDH1A1TSHRTDP1 | |
| SCHEMBL22962736 | 0.72 | ALDH1A1 (0.43) | ALDH1A1TSHRTDP1 | |
| SCHEMBL18760983 | 0.70 | ALDH1A1 (0.42) | ALDH1A1TSHRTDP1 | |
| SCHEMBL823836 | 0.66 | CA12 (0.44) | ALDH1A1TSHRTDP1CA12CA2 | |
| SCHEMBL19257310 | 0.65 | CA12 (0.33) | CA12CA2CA3CA4CA6 | |
| SCHEMBL8987534 | 0.64 | ALDH1A1 (0.60) | ALDH1A1TSHRTDP1 | |
| SCHEMBL11179910 | 0.64 | — | — | |
| SCHEMBL23177752 | 0.62 | ALDH1A1 (0.38) | ALDH1A1TSHRTDP1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3778586-A1 | QUINAZOLINE COMPOUND SERVING AS EGFR TRIPLE MUTATION INHIBITOR AND APPLICATIONS THEREOF | East China University of Science and Technology (CN) | 2021-02-17 | — | — | EP | disclosed |
| WO-2019196938-A1 | QUINAZOLINE COMPOUND SERVING AS EGFR TRIPLE MUTATION INHIBITOR AND APPLICATIONS THEREOF | 华东理工大学 | 2019-10-17 | — | — | WO | disclosed |