Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACP3 | P15309 | 3/20 | 0.42 |
| ▸ | CES2 | O00748 | 2/20 | 0.42 |
| ▸ | PNMT | P11086 | 1/20 | 0.42 |
| ▸ | IDO1 | P14902 | 1/20 | 0.40 |
| ▸ | TDO2 | P48775 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | MMP1 | P03956 | 1/20 | 0.39 |
| ▸ | MMP2 | P08253 | 1/20 | 0.39 |
| ▸ | MMP9 | P14780 | 1/20 | 0.39 |
| ▸ | MMP8 | P22894 | 1/20 | 0.39 |
| ▸ | MMP13 | P45452 | 1/20 | 0.39 |
| ▸ | DAO | P14920 | 1/20 | 0.38 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.36 |
| ▸ | CDK1 | P06493 | 1/20 | 0.36 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.36 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.36 |
| ▸ | CCND1 | P24385 | 1/20 | 0.36 |
| ▸ | CDK2 | P24941 | 1/20 | 0.36 |
| ▸ | CDK7 | P50613 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL27857728 | 0.81 | HSD11B1 (0.38) | ACP3CES2CA1CA2HSD11B1 | |
| SCHEMBL27826037 | 0.80 | HDAC4 (0.39) | CES2IDO1TDO2 | |
| SCHEMBL1505949 | 0.76 | PNMT (0.47) | ACP3CES2PNMTIDO1TDO2 | |
| SCHEMBL16957413 | 0.75 | PNMT (0.50) | ACP3CES2PNMTIDO1TDO2 | |
| SCHEMBL28796244 | 0.75 | MCL1 (0.42) | HSD11B1TSHR | |
| SCHEMBL27844724 | 0.75 | PDE2A (0.49) | CA1CA2HSD11B1TSHR | |
| SCHEMBL27844881 | 0.75 | SLC22A12 (0.36) | — | |
| SCHEMBL1173054 | 0.75 | HSD17B10 (0.38) | TSHRMAPK1 | |
| SCHEMBL4784095 | 0.74 | DAO (0.48) | ACP3CES2PNMTIDO1TDO2 | |
| SCHEMBL13855359 | 0.72 | PNMT (0.47) | ACP3CES2PNMTIDO1TDO2 |
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-102292319-A | Novel substituted octahydrocyclopenta(C)pyrrol-4-amines as calcium channel blockers | — | 2011-12-21 | — | — | CN | disclosed |