Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.67 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | S1PR2 | O95136 | 5/20 | 0.52 |
| ▸ | S1PR1 | P21453 | 5/20 | 0.52 |
| ▸ | S1PR3 | Q99500 | 5/20 | 0.52 |
| ▸ | S1PR4 | O95977 | 4/20 | 0.52 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.47 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.47 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.43 |
| ▸ | SPHK1 | Q9NYA1 | 2/20 | 0.41 |
| ▸ | GMNN | O75496 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | THPO | P40225 | 1/20 | 0.38 |
| ▸ | MTOR | P42345 | 1/20 | 0.38 |
| ▸ | BLM | P54132 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8430095 | 1.00 | TSHR (0.67) | TSHRALDH1A1S1PR2S1PR1S1PR3 | |
| SCHEMBL3670005 | 1.00 | TSHR (0.67) | TSHRALDH1A1S1PR2S1PR1S1PR3 | |
| SCHEMBL9979412 | 1.00 | TSHR (0.67) | TSHRALDH1A1S1PR2S1PR1S1PR3 | |
| SCHEMBL11764042 | 1.00 | TSHR (0.67) | TSHRALDH1A1S1PR2S1PR1S1PR3 | |
| SCHEMBL28532183 | 0.96 | TSHR (0.60) | TSHRALDH1A1S1PR2S1PR1S1PR3 | |
| SCHEMBL5596749 | 0.96 | TSHR (0.60) | TSHRALDH1A1S1PR2S1PR1S1PR3 | |
| SCHEMBL27559837 | 0.94 | TSHR (0.56) | TSHRALDH1A1S1PR2S1PR1S1PR3 | |
| SCHEMBL3666728 | 0.92 | TSHR (0.54) | TSHRALDH1A1S1PR2S1PR1S1PR3 | |
| Phosphoric Acid SCHEMBL11582967 | 0.89 | S1PR1 (0.65) | TSHRS1PR2S1PR1S1PR3S1PR4 | |
| SCHEMBL3693113 | 0.89 | TSHR (0.50) | TSHRALDH1A1S1PR2S1PR1S1PR3 |
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-118434744-A | Nitrogen-containing macrocyclic compound, and preparation method and medical application thereof | 中国医药研究开发中心有限公司 | 2024-08-02 | — | — | CN | disclosed |