Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H4 | Q96RI1 | 2/20 | 0.46 |
| ▸ | DCTPP1 | Q9H773 | 1/20 | 0.46 |
| ▸ | PPARG | P37231 | 7/20 | 0.44 |
| ▸ | PTAFR | P25105 | 1/20 | 0.41 |
| ▸ | P2RX3 | P56373 | 2/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | USP2 | O75604 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | THRB | P10828 | 1/20 | 0.40 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.40 |
| ▸ | APEX1 | P27695 | 1/20 | 0.40 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.40 |
| ▸ | RECQL | P46063 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL29968167 | 0.92 | NR1H4 (0.44) | NR1H4DCTPP1PPARGP2RX3 | |
| SCHEMBL29967953 | 0.92 | PLA2G10 (0.41) | NR1H4DCTPP1PPARGP2RX3KMT2A | |
| SCHEMBL29968184 | 0.90 | PPARG (0.43) | NR1H4PPARGP2RX3ALDH1A1 | |
| SCHEMBL29968278 | 0.90 | PPARG (0.49) | NR1H4PPARGAGTR1AGTR2 | |
| SCHEMBL29967971 | 0.90 | PPARG (0.42) | DCTPP1PPARGPTAFRP2RX3AGTR1 | |
| SCHEMBL29967498 | 0.89 | NR1H4 (0.44) | NR1H4PPARGP2RX3HDAC1HDAC6 | |
| SCHEMBL29967991 | 0.88 | PPARG (0.58) | PPARGAGTR1AGTR2 | |
| SCHEMBL29968198 | 0.88 | DCTPP1 (0.42) | DCTPP1PPARGP2RX3AGTR1AGTR2 | |
| SCHEMBL29967925 | 0.88 | PPARG (0.49) | NR1H4PPARGAGTR1AGTR2 | |
| SCHEMBL29967688 | 0.86 | CNR2 (0.38) | PPARGP2RX3KDM4E |
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 |