Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.56 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.56 |
| ▸ | CA1 | P00915 | 1/20 | 0.45 |
| ▸ | CA2 | P00918 | 1/20 | 0.45 |
| ▸ | MMP1 | P03956 | 1/20 | 0.45 |
| ▸ | MMP2 | P08253 | 1/20 | 0.45 |
| ▸ | MMP9 | P14780 | 1/20 | 0.45 |
| ▸ | MMP8 | P22894 | 1/20 | 0.45 |
| ▸ | MMP13 | P45452 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL27673353 | 0.86 | VCAM1 (0.50) | TDP1NPC1RAB9AALDH1A1VCAM1 | |
| SCHEMBL3334862 | 0.83 | TSHR (0.62) | TSHRMAPK1CA1CA2MMP1 | |
| SCHEMBL550266 | 0.81 | TSHR (0.60) | TSHRMAPK1CA1CA2MMP1 | |
| SCHEMBL5906064 | 0.81 | TSHR (0.47) | TSHRMAPK1CA1CA2MMP1 | |
| SCHEMBL27850515 | 0.81 | TSHR (0.47) | TSHRMAPK1CA1CA2MMP1 | |
| SCHEMBL1868568 | 0.80 | TSHR (0.58) | TSHRMAPK1CA1CA2MMP1 | |
| SCHEMBL6211032 | 0.80 | TSHR (0.58) | TSHRMAPK1CA1CA2MMP1 | |
| SCHEMBL10270605 | 0.80 | TSHR (0.58) | TSHRMAPK1CA1CA2MMP1 | |
| SCHEMBL31667740 | 0.80 | TSHR (0.58) | TSHRMAPK1CA1CA2MMP1 | |
| SCHEMBL5068488 | 0.80 | TSHR (0.58) | TSHRMAPK1CA1CA2MMP1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115925608-A | High-efficiency preparation method of high-purity gamma-crystal indometacin | 沈阳化工研究院有限公司 | 2023-04-07 | — | — | CN | disclosed |
| CN-115181108-A | Compound and preparation method, pharmaceutical composition and application thereof | 艾奇实验室制药有限公司 | 2022-10-14 | — | — | CN | disclosed |
| CN-110088092-B | Compounds, processes for their preparation, pharmaceutical compositions, uses of compounds and methods for treating psychiatric and/or sleep disorders | 艾奇实验室制药有限公司 | 2022-10-04 | — | — | CN | disclosed |