Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC4 | P56524 | 1/20 | 0.41 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.41 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | XIAP | P98170 | 1/20 | 0.40 |
| ▸ | BRD4 | O60885 | 2/20 | 0.38 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.38 |
| ▸ | MMP2 | P08253 | 1/20 | 0.37 |
| ▸ | ANPEP | P15144 | 1/20 | 0.37 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.36 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | PARP1 | P09874 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 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 | |
|---|---|---|---|---|
| SCHEMBL19953500 | 0.79 | FABP5 (0.44) | HDAC4HDAC7HDAC5TSHRXIAP | |
| SCHEMBL1207850 | 0.76 | HDAC4 (0.51) | HDAC4HDAC7HDAC5TSHRANPEP | |
| SCHEMBL5400138 | 0.76 | CHRM2 (0.45) | HDAC4HDAC7HDAC5TSHRXIAP | |
| SCHEMBL26730530 | 0.75 | PDE4A (0.41) | TSHRXIAP | |
| SCHEMBL22861976 | 0.74 | BRD4 (0.45) | TSHRBRD4CREBBPCHRM2CHRM1 | |
| SCHEMBL4989954 | 0.72 | ANPEP (0.50) | TSHRXIAPBRD4CREBBPANPEP | |
| Hydrochloric Acid SCHEMBL22612124 | 0.71 | ANPEP (0.51) | XIAPBRD4CREBBPANPEPPARP1 | |
| Hydrochloric Acid SCHEMBL30630763 | 0.71 | ANPEP (0.51) | XIAPBRD4CREBBPANPEPPARP1 | |
| SCHEMBL20777955 | 0.71 | HDAC4 (0.36) | HDAC4HDAC7HDAC5TSHRPOLB | |
| SCHEMBL8804810 | 0.71 | HSD17B10 (0.41) | HDAC4HDAC7HDAC5TSHRSLC6A4 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2018047983-A1 | INDANE DERIVATIVES USEFUL AS MODULATORS OF MGLUR7 | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2018-03-15 | — | — | WO | disclosed |
| WO-2018047983-A1 | INDANE DERIVATIVES USEFUL AS MODULATORS OF MGLUR7 | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2018-03-15 | — | — | WO | disclosed |