Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H4 | Q96RI1 | 4/20 | 0.46 |
| ▸ | ABL1 | P00519 | 10/20 | 0.45 |
| ▸ | BCR | P11274 | 10/20 | 0.45 |
| ▸ | ESRRG | P62508 | 3/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.41 |
| ▸ | KIT | P10721 | 1/20 | 0.40 |
| ▸ | FLT3 | P36888 | 1/20 | 0.40 |
| ▸ | ESRRB | O95718 | 1/20 | 0.39 |
| ▸ | PTGES | O14684 | 1/20 | 0.39 |
| ▸ | ALOX5 | P09917 | 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 | |
|---|---|---|---|---|
| SCHEMBL28957397 | 1.00 | NR1H4 (0.46) | NR1H4ABL1BCRESRRGNPC1 | |
| SCHEMBL28871272 | 0.91 | NR1H4 (0.48) | NR1H4ABL1BCRRAB9AEPHX2 | |
| SCHEMBL29968242 | 0.91 | NR1H4 (0.48) | NR1H4ABL1BCRRAB9AEPHX2 | |
| SCHEMBL29967985 | 0.91 | NR1H4 (0.45) | NR1H4ABL1BCRESRRGNPC1 | |
| SCHEMBL28871266 | 0.91 | NR1H4 (0.45) | NR1H4ABL1BCRESRRGNPC1 | |
| SCHEMBL28871240 | 0.91 | CA1 (0.47) | ABL1BCRESRRGNPC1RAB9A | |
| SCHEMBL28871297 | 0.89 | NPC1 (0.40) | ABL1BCRESRRGNPC1RAB9A | |
| SCHEMBL29967800 | 0.89 | NPC1 (0.40) | ABL1BCRESRRGNPC1RAB9A | |
| SCHEMBL28957360 | 0.83 | NR1H4 (0.53) | NR1H4ABL1BCRKITFLT3 | |
| SCHEMBL29968183 | 0.83 | NR1H4 (0.53) | NR1H4ABL1BCRKITFLT3 |
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 |