Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.70 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.59 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.59 |
| ▸ | RORC | P51449 | 1/20 | 0.58 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.55 |
| ▸ | HPGD | P15428 | 1/20 | 0.55 |
| ▸ | HTT | P42858 | 1/20 | 0.55 |
| ▸ | RAB9A | P51151 | 1/20 | 0.55 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.54 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.54 |
| ▸ | PKM | P14618 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | BRD4 | O60885 | 1/20 | 0.41 |
| ▸ | ATAD2 | Q6PL18 | 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 | |
|---|---|---|---|---|
| SCHEMBL29817651 | 1.00 | TSHR (0.70) | TSHRALDH1A1NPSR1RORCKDM4E | |
| SCHEMBL28823971 | 0.81 | TSHR (0.65) | TSHRALDH1A1NPSR1RORCKDM4E | |
| SCHEMBL29817770 | 0.81 | TSHR (0.65) | TSHRALDH1A1NPSR1RORCKDM4E | |
| SCHEMBL521211 | 0.76 | NLRP3 (0.53) | SMN1; SMN2MEN1KMT2ABRD4ATAD2 | |
| SCHEMBL29767734 | 0.76 | NLRP3 (0.53) | SMN1; SMN2MEN1KMT2ABRD4ATAD2 | |
| SCHEMBL28823950 | 0.74 | RORC (0.57) | TSHRALDH1A1NPSR1RORCKDM4E | |
| SCHEMBL29817656 | 0.74 | RORC (0.57) | TSHRALDH1A1NPSR1RORCKDM4E | |
| SCHEMBL28157214 | 0.74 | RORC (0.57) | TSHRALDH1A1NPSR1RORCHPGD | |
| SCHEMBL29817735 | 0.74 | RORC (0.57) | TSHRALDH1A1NPSR1RORCHPGD | |
| SCHEMBL4559537 | 0.74 | KMT2A (0.59) | ALDH1A1RORCCYP11B1CYP11B2MAPK1 |
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-107021923-B | Tetrahydroquinoline related bicyclic compound and application thereof | 中国科学院广州生物医药与健康研究院 | 2022-09-23 | — | — | CN | disclosed |
| CN-114790169-A | Tetrahydroquinoline related bicyclic compound and application thereof | 中国科学院广州生物医药与健康研究院 | 2022-07-26 | — | — | CN | disclosed |