Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 2/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.38 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.38 |
| ▸ | KDM1A | O60341 | 1/20 | 0.36 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.36 |
| ▸ | HTR3B | O95264 | 1/20 | 0.36 |
| ▸ | HTR3A | P46098 | 1/20 | 0.36 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.36 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.36 |
| ▸ | P2RY1 | P47900 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | STS | P08842 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.34 |
| ▸ | CTSD | P07339 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL5599315 | 0.85 | DPP4 (0.37) | HDAC1HDAC8HDAC6PDE4BKDM1A | |
| SCHEMBL30413026 | 0.82 | NOTUM (0.53) | HDAC1HDAC8HDAC6KDM1AP2RY1 | |
| SCHEMBL1222469 | 0.82 | NOTUM (0.53) | HDAC1HDAC8HDAC6KDM1AP2RY1 | |
| Hydrochloric Acid SCHEMBL25232027 | 0.81 | NOTUM (0.52) | HDAC1HDAC8HDAC6KDM1AP2RY1 | |
| SCHEMBL1223344 | 0.80 | NOTUM (0.41) | HDAC1HDAC8HDAC6KDM1ACYP3A4 | |
| SCHEMBL1195029 | 0.79 | AKT1 (0.41) | HDAC1HDAC8HDAC6KDM1ANOTUM | |
| SCHEMBL6002974 | 0.79 | CYP11B2 (0.38) | HDAC1HDAC8HDAC6KDM1AP2RY1 | |
| SCHEMBL20955744 | 0.79 | NOTUM (0.57) | HDAC1HDAC8HDAC6KDM1AMEN1 | |
| SCHEMBL20955027 | 0.79 | KDM4E (0.43) | HDAC1HDAC8HDAC6PDE4BHTT | |
| Hydrochloric Acid SCHEMBL17008459 | 0.78 | AKT1 (0.41) | HDAC1HDAC8HDAC6KDM1ANOTUM |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2005063745-A9 | NOVEL SPIROINDOLINE OR SPIROISOQUINOLINE COMPOUNDS, METHODS OF USE AND COMPOSITIONS THEREOF | ARENA PHARM INC (US) | 2007-02-01 | — | — | WO | disclosed |
| EP-1716148-A2 | NOVEL SPIROINDOLINE OR SPIROISOQUINOLINE COMPOUNDS, METHODS OF USE AND COMPOSITIONS THEREOF | Arena Pharmaceuticals, Inc. (US) | 2006-11-02 | — | — | EP | disclosed |
| WO-2005063745-A2 | NOVEL SPIROINDOLINE OR SPIROISOQUINOLINE COMPOUNDS, METHODS OF USE AND COMPOSITIONS THEREOF | ARENA PHARMACEUTICALS, INC. (US) | 2005-07-14 | — | — | WO | disclosed |