Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SHBG | P04278 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.34 |
| ▸ | MMP1 | P03956 | 1/20 | 0.33 |
| ▸ | MMP7 | P09237 | 1/20 | 0.33 |
| ▸ | MMP12 | P39900 | 1/20 | 0.33 |
| ▸ | ECE1 | P42892 | 1/20 | 0.33 |
| ▸ | MMP13 | P45452 | 1/20 | 0.33 |
| ▸ | NAAA | Q02083 | 1/20 | 0.33 |
| ▸ | CTSL | P07711 | 1/20 | 0.32 |
| ▸ | CTSB | P07858 | 1/20 | 0.32 |
| ▸ | CTSK | P43235 | 1/20 | 0.32 |
| ▸ | EPHX1 | P07099 | 9/20 | 0.32 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.31 |
| ▸ | METAP1 | P53582 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL3031788 | 0.89 | SHBG (0.38) | SHBGTSHR | |
| SCHEMBL4672145 | 0.87 | SHBG (0.34) | SHBG | |
| SCHEMBL4670007 | 0.82 | SHBG (0.45) | SHBGTSHRCYP1A2SIGMAR1EPHX1 | |
| SCHEMBL3025954 | 0.80 | SHBG (0.41) | SHBGEPHX1 | |
| SCHEMBL6813080 | 0.76 | CTSL (0.40) | SHBGTSHRCYP1A2SIGMAR1MMP1 | |
| SCHEMBL21419797 | 0.74 | SHBG (0.40) | SHBGTSHRCYP1A2SIGMAR1NAAA | |
| SCHEMBL4669966 | 0.74 | — | — | |
| SCHEMBL21175623 | 0.73 | TSHR (0.40) | SHBGTSHRCYP1A2SIGMAR1NAAA | |
| SCHEMBL11555898 | 0.73 | TSHR (0.40) | SHBGTSHRCYP1A2SIGMAR1NAAA | |
| SCHEMBL21175625 | 0.73 | TSHR (0.40) | SHBGTSHRCYP1A2SIGMAR1NAAA |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1449828-A2 | Guanidinomethyl cyclohexane carboxylic acid ester derivatives | Nagase ChemteX Corporation (JP) | 2004-08-25 | — | — | EP | disclosed |
| EP-0989112-B1 | Intermediates for the preparation of guanidinomethyl cyclohexane carboxylic acid ester derivatives | NAGASE CHEMTEX CORP (JP) | 2004-04-14 | — | — | EP | disclosed |
| EP-0775692-B1 | GUANIDINOMETHYL CYCLOHEXANE CARBOXYLIC ESTER DERIVATIVE | TEIKOKU CHEM IND CO LTD (JP) | 2000-12-06 | — | — | EP | disclosed |
| EP-0989112-A2 | Intermediates for the preparation of guanidinomethyl cyclohexane carboxylic acid ester derivatives | TEIKOKU CHEMICAL INDUSTRY CO., LTD. (JP) | 2000-03-29 | — | — | EP | disclosed |