Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | CA12 | O43570 | 2/20 | 0.42 |
| ▸ | CA1 | P00915 | 2/20 | 0.42 |
| ▸ | CA2 | P00918 | 2/20 | 0.42 |
| ▸ | CA9 | Q16790 | 2/20 | 0.42 |
| ▸ | CA4 | P22748 | 1/20 | 0.42 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | CASP1 | P29466 | 1/20 | 0.41 |
| ▸ | RECQL | P46063 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | F2 | P00734 | 2/20 | 0.36 |
| ▸ | PRSS1 | P07477 | 2/20 | 0.36 |
| ▸ | PRSS2 | P07478 | 2/20 | 0.36 |
| ▸ | PRSS3 | P35030 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL30515572 | 1.00 | TSHR (0.48) | TSHRMAPK1LMNACA12CA1 | |
| SCHEMBL17560619 | 0.81 | TSHR (0.46) | TSHRMAPK1LMNACA12CA1 | |
| SCHEMBL17571915 | 0.78 | ACHE (0.42) | MAPK1LMNAALDH1A1CYP3A4KIF11 | |
| SCHEMBL25329184 | 0.77 | CA1 (0.51) | MAPK1CA1CA2CA9ALDH1A1 | |
| SCHEMBL3717233 | 0.77 | CYP2C9 (0.35) | LMNAPDE4APDE4BPDE4CPDE4D | |
| SCHEMBL17560531 | 0.77 | TSHR (0.44) | TSHRMAPK1LMNACA12CA1 | |
| SCHEMBL9247522 | 0.75 | TSHR (0.56) | TSHRMAPK1LMNACA12CA1 | |
| SCHEMBL2050366 | 0.75 | MAPT (0.44) | TSHRMAPK1LMNACA12CA1 | |
| SCHEMBL111419 | 0.74 | MAPK1 (0.60) | TSHRMAPK1CA12CA1CA2 | |
| SCHEMBL125232 | 0.74 | TSHR (0.60) | TSHRMAPK1LMNACA12CA1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023143135-A1 | QUINAZOLINE DERIVATIVE AND USE THEREOF | 赛诺哈勃药业（成都）有限公司 | 2023-08-03 | — | — | WO | disclosed |
| WO-2016035008-A1 | PYRIDOPYRIMIDINE DERIVATIVES AS MEK INHIBITORS | LUPIN LIMITED (IN) | 2016-03-10 | — | — | WO | disclosed |
| WO-2016035008-A1 | PYRIDOPYRIMIDINE DERIVATIVES AS MEK INHIBITORS | LUPIN LIMITED (IN) | 2016-03-10 | — | — | WO | disclosed |