Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | VRK1 | Q99986 | 2/20 | 0.44 |
| ▸ | ERN1 | O75460 | 3/20 | 0.44 |
| ▸ | RPS6KA3 | P51812 | 11/20 | 0.44 |
| ▸ | ESR1 | P03372 | 1/20 | 0.43 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.43 |
| ▸ | ACLY | P53396 | 1/20 | 0.38 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.38 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL833139 | 0.75 | ESR1 (0.56) | VRK1ERN1RPS6KA3ESR1ESR2 | |
| SCHEMBL20743619 | 0.75 | LOXL2 (0.43) | HDAC4CYP11B2 | |
| SCHEMBL21411855 | 0.70 | ESR1 (0.52) | RPS6KA3ESR1ESR2HDAC4CYP11B2 | |
| SCHEMBL27821399 | 0.70 | HDAC4 (0.41) | HDAC4CYP11B2 | |
| SCHEMBL27821400 | 0.69 | HDAC4 (0.44) | HDAC4 | |
| SCHEMBL18248463 | 0.69 | CYP11B2 (0.38) | ACLYHDAC4CYP11B2 | |
| SCHEMBL319582 | 0.68 | SCN9A (0.41) | CYP11B2 | |
| SCHEMBL18304669 | 0.68 | STING1 (0.47) | HDAC4 | |
| SCHEMBL321081 | 0.68 | SCN9A (0.41) | CYP11B2 | |
| SCHEMBL27545288 | 0.68 | NPC1 (0.38) | CYP11B2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012041158-A1 | TRICYCLIC COMPOUND, PREPARATION METHOD AND PHARMACEUTICAL USE THEREOF | 上海恒瑞医药有限公司 (CN) | 2012-04-05 | — | — | WO | disclosed |