Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 1/20 | 0.56 |
| ▸ | CA1 | P00915 | 2/20 | 0.55 |
| ▸ | CA2 | P00918 | 2/20 | 0.55 |
| ▸ | CA7 | P43166 | 2/20 | 0.55 |
| ▸ | CA9 | Q16790 | 2/20 | 0.55 |
| ▸ | CA12 | O43570 | 1/20 | 0.55 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.55 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.50 |
| ▸ | TP53 | P04637 | 2/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.50 |
| ▸ | CASP3 | P42574 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.50 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.50 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.50 |
| ▸ | APP | P05067 | 1/20 | 0.48 |
| ▸ | MAOB | P27338 | 2/20 | 0.47 |
| ▸ | ABL1 | P00519 | 1/20 | 0.47 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL183073 | 1.00 | ESR2 (0.56) | ESR2CA1CA2CA7CA9 | |
| SCHEMBL28090962 | 0.91 | ESR2 (0.48) | ESR2CA1CA2CA7CA9 | |
| SCHEMBL28429576 | 0.88 | ESR2 (0.45) | ESR2CA1CA2CA7CA9 | |
| Water SCHEMBL27525432 | 0.84 | — | — | |
| SCHEMBL2370 | 0.84 | — | — | |
| SCHEMBL6733562 | 0.84 | CA1 (0.79) | ESR2CA1CA2CA7CA9 | |
| SCHEMBL197522 | 0.84 | CA1 (0.79) | ESR2CA1CA2CA7CA9 | |
| SCHEMBL9151672 | 0.84 | CA1 (0.79) | ESR2CA1CA2CA7CA9 | |
| SCHEMBL21314698 | 0.81 | — | — | |
| SCHEMBL21831895 | 0.81 | — | — |
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-115109036-A | Quinazoline compound, composition and application thereof | 北京赛特明强医药科技有限公司 | 2022-09-27 | — | — | CN | claimed |