Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 3/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | MAOA | P21397 | 1/20 | 0.37 |
| ▸ | MAOB | P27338 | 1/20 | 0.37 |
| ▸ | CACNA1B | Q00975 | 4/20 | 0.37 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.36 |
| ▸ | GFER | P55789 | 1/20 | 0.35 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.35 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.35 |
| ▸ | CTSS | P25774 | 1/20 | 0.35 |
| ▸ | CTSK | P43235 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL2159267 | 0.94 | KMT2A (0.49) | KMT2AALDH1A1MEN1TSHREPHX1 | |
| SCHEMBL12335551 | 0.87 | EPHX1 (0.50) | KMT2AALDH1A1MEN1TSHREPHX1 | |
| SCHEMBL5283279 | 0.86 | EPHX1 (0.52) | KMT2AALDH1A1MEN1TSHREPHX1 | |
| SCHEMBL21614552 | 0.79 | GAA (0.41) | ALDH1A1TSHRCACNA1BGAAEPHX2 | |
| SCHEMBL27890002 | 0.78 | EPHX1 (0.43) | KMT2AALDH1A1MEN1TSHREPHX1 | |
| SCHEMBL2177401 | 0.76 | KMT2A (0.51) | KMT2AEPHX1CTSSCTSK | |
| SCHEMBL1204998 | 0.76 | KMT2A (0.51) | KMT2AEPHX1CTSSCTSK | |
| SCHEMBL1204996 | 0.76 | KMT2A (0.51) | KMT2AEPHX1CTSSCTSK | |
| SCHEMBL27999169 | 0.75 | TET2 (0.33) | EPHX1GAAEPHX2APOBEC3AAPOBEC3G | |
| SCHEMBL5246848 | 0.75 | NAMPT (0.47) | CACNA1BEPHX2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1638950-A2 | CYCLOHEXYLGLYCINE DERIVATIVES AS DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES | Merck & Co., Inc. (US) | 2006-03-29 | — | — | EP | disclosed |
| WO-2004112701-A2 | CYCLOHEXYLGLYCINE DERIVATIVES AS DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES | MERCK & CO., INC. (US) | 2004-12-29 | — | — | WO | disclosed |