Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN2B | Q13224 | 3/20 | 0.50 |
| ▸ | ACACB | O00763 | 10/20 | 0.42 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.42 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.42 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.42 |
| ▸ | HTR1A | P08908 | 1/20 | 0.40 |
| ▸ | CXCR3 | P49682 | 1/20 | 0.39 |
| ▸ | IDH1 | O75874 | 1/20 | 0.39 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.38 |
| ▸ | DPP4 | P27487 | 1/20 | 0.38 |
| ▸ | DPP9 | Q86TI2 | 1/20 | 0.38 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL15908925 | 1.00 | GRIN2B (0.50) | GRIN2BACACBGRM4HCRTR1HCRTR2 | |
| SCHEMBL15908971 | 1.00 | GRIN2B (0.50) | GRIN2BACACBGRM4HCRTR1HCRTR2 | |
| SCHEMBL15909032 | 0.91 | GRIN2B (0.46) | GRIN2BACACBGRM4HCRTR1HCRTR2 | |
| SCHEMBL37651 | 0.91 | GRIN2B (0.46) | GRIN2BACACBGRM4HCRTR1HCRTR2 | |
| SCHEMBL37525 | 0.91 | GRIN2B (0.46) | GRIN2BACACBGRM4HCRTR1HCRTR2 | |
| SCHEMBL15909041 | 0.88 | ACACB (0.52) | GRIN2BACACBHCRTR1HCRTR2CXCR3 | |
| SCHEMBL37538 | 0.88 | ACACB (0.52) | GRIN2BACACBHCRTR1HCRTR2CXCR3 | |
| SCHEMBL15909114 | 0.88 | ACACB (0.52) | GRIN2BACACBHCRTR1HCRTR2CXCR3 | |
| SCHEMBL15908891 | 0.86 | GRIN2B (0.45) | GRIN2BACACBGRM4HCRTR1HCRTR2 | |
| SCHEMBL15908996 | 0.81 | GRIN2B (0.49) | GRIN2BACACBHCRTR1HCRTR2HTR1A |
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-2011149993-A2 | SUBSTITUTED OCTAHYDROCYCLOPENTA[c]PYRROLES AS CALCIUM CHANNEL MODULATORS | ABBOTT LABORATORIES (US) | 2011-12-01 | — | — | WO | claimed |
| WO-2011149993-A2 | SUBSTITUTED OCTAHYDROCYCLOPENTA[c]PYRROLES AS CALCIUM CHANNEL MODULATORS | ABBOTT LABORATORIES (US) | 2011-12-01 | — | — | WO | disclosed |