Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SHBG | P04278 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | MMP1 | P03956 | 1/20 | 0.32 |
| ▸ | MMP7 | P09237 | 1/20 | 0.32 |
| ▸ | MMP12 | P39900 | 1/20 | 0.32 |
| ▸ | ECE1 | P42892 | 1/20 | 0.32 |
| ▸ | MMP13 | P45452 | 1/20 | 0.32 |
| ▸ | EPHX1 | P07099 | 6/20 | 0.31 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.30 |
| ▸ | METAP1 | P53582 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL6327653 | 0.94 | SHBG (0.38) | SHBGCYP1A2SIGMAR1TSHREPHX1 | |
| SCHEMBL9650913 | 0.93 | SHBG (0.36) | SHBGCYP1A2SIGMAR1TSHREPHX1 | |
| SCHEMBL9248578 | 0.90 | TSHR (0.37) | TSHR | |
| SCHEMBL11158410 | 0.88 | SHBG (0.41) | SHBGCYP1A2EPHX1 | |
| SCHEMBL6988843 | 0.81 | SHBG (0.39) | SHBGCYP1A2SIGMAR1TSHRMMP1 | |
| SCHEMBL10747853 | 0.79 | HSD17B10 (0.52) | SHBGTSHREPHX1EPHX2 | |
| SCHEMBL14509959 | 0.77 | SHBG (0.46) | SHBGEPHX1 | |
| SCHEMBL14234407 | 0.77 | — | — | |
| SCHEMBL11985366 | 0.77 | — | — | |
| SCHEMBL11985404 | 0.77 | — | — |
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-108486088-A | Nitrilase mutants and its application | 浙江工业大学 | 2018-09-04 | — | — | CN | disclosed |
| CN-104911225-A | Method for preparing gabapentin with chemo-enzymatic method | UNIV ZHEJIANG TECHNOLOGY | 2015-09-16 | — | — | CN | disclosed |