Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H4 | Q96RI1 | 6/20 | 0.48 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.48 |
| ▸ | ABL1 | P00519 | 6/20 | 0.45 |
| ▸ | BCR | P11274 | 6/20 | 0.45 |
| ▸ | MAPK8 | P45983 | 2/20 | 0.44 |
| ▸ | KIT | P10721 | 1/20 | 0.42 |
| ▸ | FLT3 | P36888 | 1/20 | 0.42 |
| ▸ | MAPK10 | P53779 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | PTGES | O14684 | 1/20 | 0.41 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL28871272 | 1.00 | NR1H4 (0.48) | NR1H4EPHX2ABL1BCRMAPK8 | |
| SCHEMBL28957397 | 0.91 | NR1H4 (0.46) | NR1H4EPHX2ABL1BCRKIT | |
| SCHEMBL29967977 | 0.91 | NR1H4 (0.46) | NR1H4EPHX2ABL1BCRKIT | |
| SCHEMBL28957360 | 0.90 | NR1H4 (0.53) | NR1H4ABL1BCRMAPK8KIT | |
| SCHEMBL29968183 | 0.90 | NR1H4 (0.53) | NR1H4ABL1BCRMAPK8KIT | |
| SCHEMBL28871288 | 0.90 | NR1H4 (0.46) | NR1H4EPHX2ABL1BCRMAPK8 | |
| SCHEMBL29968066 | 0.87 | MAPK1 (0.41) | ABL1BCRMAPK8KITFLT3 | |
| SCHEMBL28871289 | 0.87 | MAPK1 (0.41) | ABL1BCRMAPK8KITFLT3 | |
| SCHEMBL28871280 | 0.84 | KDR (0.44) | ABL1BCRMAPK8KITFLT3 | |
| SCHEMBL29967967 | 0.84 | KDR (0.44) | ABL1BCRMAPK8KITFLT3 |
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 |
|---|---|---|---|---|---|---|---|
| CN-115260165-B | Benzo nitrogen-containing five-membered heterocyclic compound and synthesis and application thereof | 中国科学院上海药物研究所 | 2024-08-06 | — | — | CN | disclosed |
| CN-115260165-A | Benzo nitrogen-containing five-membered heterocyclic compound and synthesis and application thereof | 中国科学院上海药物研究所 | 2022-11-01 | — | — | CN | disclosed |