Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.40 |
| ▸ | THRB | P10828 | 1/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.39 |
| ▸ | NAAA | Q02083 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | MMP1 | P03956 | 1/20 | 0.38 |
| ▸ | MMP7 | P09237 | 1/20 | 0.38 |
| ▸ | MMP12 | P39900 | 1/20 | 0.38 |
| ▸ | ECE1 | P42892 | 1/20 | 0.38 |
| ▸ | MMP13 | P45452 | 1/20 | 0.38 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL8084596 | 0.94 | TSHR (0.57) | TSHRALDH1A1NPSR1CYP2D6NAAA | |
| SCHEMBL3917565 | 0.90 | TSHR (0.48) | TSHRALDH1A1NPSR1CYP2D6L3MBTL1 | |
| SCHEMBL4955886 | 0.87 | CA1 (0.47) | TSHRSIGMAR1MMP1MMP7MMP12 | |
| SCHEMBL872846 | 0.84 | ALDH1A1 (0.44) | TSHRALDH1A1NPSR1SIGMAR1NAAA | |
| SCHEMBL6655480 | 0.83 | ALDH1A1 (0.43) | TSHRALDH1A1NPSR1CYP2D6L3MBTL1 | |
| SCHEMBL772352 | 0.82 | CPB2 (0.41) | TSHRALDH1A1NPSR1CYP2D6L3MBTL1 | |
| SCHEMBL4087213 | 0.82 | ALDH1A1 (0.48) | TSHRALDH1A1NPSR1CYP2D6L3MBTL1 | |
| SCHEMBL9340414 | 0.82 | CPN1 (0.48) | TSHRALDH1A1NPSR1CYP2D6L3MBTL1 | |
| SCHEMBL11576811 | 0.82 | TSHR (0.48) | TSHRALDH1A1NAAAEPHX1 | |
| SCHEMBL18706844 | 0.82 | ALDH1A1 (0.43) | TSHRALDH1A1NPSR1CYP2D6L3MBTL1 |
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-105418363-A | Synthetic method for 4-tertiary butyl cyclohexaneacetic acid | SHANDONG CHUANCHENG PHARMACEUTICAL CO LTD | 2016-03-23 | — | — | CN | disclosed |