Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.37 |
| ▸ | MGLL | Q99685 | 4/20 | 0.34 |
| ▸ | DRD2 | P14416 | 2/20 | 0.34 |
| ▸ | EPHX2 | P34913 | 4/20 | 0.33 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.32 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.32 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.32 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.32 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.32 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.32 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.32 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.32 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.32 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.32 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.32 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.31 |
| ▸ | CRBN | Q96SW2 | 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 | |
|---|---|---|---|---|
| SCHEMBL31548437 | 0.74 | ALDH1A1 (0.31) | TRPM8 | |
| SCHEMBL21961916 | 0.72 | HDAC3 (0.36) | SIGMAR1EPHX2HDAC3HDAC4HDAC1 | |
| SCHEMBL16835486 | 0.71 | DDB1 (0.31) | DDB1CRBN | |
| SCHEMBL18446062 | 0.68 | PIK3CA (0.32) | — | |
| SCHEMBL3222598 | 0.67 | SIGMAR1 (0.66) | SIGMAR1EPHX2HDAC3HDAC4HDAC1 | |
| SCHEMBL2588053 | 0.67 | SIGMAR1 (0.66) | SIGMAR1EPHX2HDAC3HDAC4HDAC1 | |
| SCHEMBL1313943 | 0.67 | KMT2A (0.39) | TRPM8 | |
| SCHEMBL140593 | 0.66 | MGLL (0.35) | MGLLTRPM8 | |
| SCHEMBL18341792 | 0.65 | VNN1 (0.37) | MGLLEPHX2 | |
| SCHEMBL15195202 | 0.65 | ATM (0.49) | CYP2C9 |
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-2012009217-A1 | SPIROCYCLIC COMPOUNDS | MERCK SHARP & DOHME CORP. (US) | 2012-01-19 | — | — | WO | disclosed |