Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 2/20 | 0.52 |
| ▸ | ADRA1D | P25100 | 2/20 | 0.52 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.52 |
| ▸ | ADRA1B | P35368 | 2/20 | 0.52 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | MMP1 | P03956 | 1/20 | 0.42 |
| ▸ | MMP2 | P08253 | 1/20 | 0.42 |
| ▸ | MMP9 | P14780 | 1/20 | 0.42 |
| ▸ | MMP8 | P22894 | 1/20 | 0.42 |
| ▸ | MMP13 | P45452 | 1/20 | 0.42 |
| ▸ | TRPV4 | Q9HBA0 | 1/20 | 0.41 |
| ▸ | MCOLN2 | Q8IZK6 | 1/20 | 0.41 |
| ▸ | MCOLN3 | Q8TDD5 | 1/20 | 0.41 |
| ▸ | MCOLN1 | Q9GZU1 | 1/20 | 0.41 |
| ▸ | HTR1A | P08908 | 2/20 | 0.41 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.41 |
| ▸ | DRD3 | P35462 | 1/20 | 0.41 |
| ▸ | HTR2B | P41595 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL14814590 | 1.00 | DRD2 (0.52) | DRD2ADRA1DADRA1AADRA1BNPSR1 | |
| SCHEMBL14815367 | 0.82 | DRD2 (0.46) | DRD2ADRA1DADRA1AADRA1BNPSR1 | |
| SCHEMBL14815077 | 0.82 | DRD2 (0.47) | DRD2ADRA1DADRA1AADRA1BCA1 | |
| SCHEMBL14833215 | 0.82 | DRD2 (0.47) | DRD2ADRA1DADRA1AADRA1BCA1 | |
| SCHEMBL14833227 | 0.80 | DRD2 (0.45) | DRD2ADRA1DADRA1AADRA1BHTR1A | |
| SCHEMBL14815157 | 0.80 | DRD2 (0.45) | DRD2ADRA1DADRA1AADRA1BHTR1A | |
| SCHEMBL14814875 | 0.80 | DRD2 (0.45) | DRD2ADRA1DADRA1AADRA1BCA1 | |
| SCHEMBL14815172 | 0.79 | ALDH1A1 (0.49) | DRD2ADRA1DADRA1AADRA1BHDAC8 | |
| SCHEMBL14833432 | 0.79 | ALDH1A1 (0.49) | DRD2ADRA1DADRA1AADRA1BHDAC8 | |
| SCHEMBL14815095 | 0.79 | CCR2 (0.48) | DRD2ADRA1DADRA1AADRA1BHTR1A |
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-2013049164-A1 | SUBSTITUTED OCTAHYDROPYRROLO[1,2-a]PYRAZINES AS CALCIUM CHANNEL BLOCKERS | ABBVIE INC. (US) | 2013-04-04 | — | — | WO | claimed |
| WO-2013049164-A1 | SUBSTITUTED OCTAHYDROPYRROLO[1,2-a]PYRAZINES AS CALCIUM CHANNEL BLOCKERS | ABBVIE INC. (US) | 2013-04-04 | — | — | WO | disclosed |