Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 2/20 | 0.49 |
| ▸ | CA7 | P43166 | 2/20 | 0.49 |
| ▸ | CA9 | Q16790 | 2/20 | 0.49 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.44 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | LTA4H | P09960 | 1/20 | 0.42 |
| ▸ | AKT1 | P31749 | 1/20 | 0.41 |
| ▸ | MLYCD | O95822 | 1/20 | 0.41 |
| ▸ | CTRB1 | P17538 | 1/20 | 0.40 |
| ▸ | PPID | Q08752 | 1/20 | 0.40 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.40 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.40 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL11618178 | 0.83 | ALDH1A1 (0.51) | CA12CA7CA9CA14KDM4E | |
| SCHEMBL868677 | 0.82 | ALDH1A1 (0.50) | CA12CA7CA9CA14KDM4E | |
| SCHEMBL28028200 | 0.81 | KEAP1 (0.50) | PTPN1FFAR1MAPK1 | |
| SCHEMBL27778793 | 0.78 | CA12 (0.47) | CA12CA7CA9CA14KDM4E | |
| SCHEMBL27550761 | 0.78 | CA12 (0.47) | CA12CA7CA9CA14KDM4E | |
| SCHEMBL2344852 | 0.78 | SMN1; SMN2 (0.47) | TSHRPTPN1 | |
| SCHEMBL824939 | 0.78 | KCNN4 (0.47) | CA12CA7CA9CA14KDM4E | |
| SCHEMBL31387794 | 0.76 | TSHR (0.57) | CA12CA7CA9CA14KDM4E | |
| Methyl 3-Phenylpropanoate SCHEMBL28048182 | 0.75 | TDP1 (0.56) | CA12CA7CA9CA14KDM4E | |
| SCHEMBL1199641 | 0.75 | TSHR (0.50) | TSHRLTA4HCTRB1 |
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-102014635-B | Difluoro-containing compounds as cysteine protease inhibitors | VIROBAY, INC. (US) | 2015-12-16 | — | — | CN | disclosed |