Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.49 |
| ▸ | HTT | P42858 | 2/20 | 0.49 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.49 |
| ▸ | HPGD | P15428 | 1/20 | 0.49 |
| ▸ | CASP1 | P29466 | 1/20 | 0.49 |
| ▸ | CASP7 | P55210 | 1/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.49 |
| ▸ | SFRP1 | Q8N474 | 1/20 | 0.47 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.46 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.46 |
| ▸ | PKLR | P30613 | 1/20 | 0.45 |
| ▸ | MGLL | Q99685 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | DRD2 | P14416 | 1/20 | 0.44 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.44 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.44 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL14815172 | 1.00 | ALDH1A1 (0.49) | ALDH1A1SMN1; SMN2HTTHSD11B1HPGD | |
| SCHEMBL14833243 | 0.95 | ALDH1A1 (0.47) | ALDH1A1SMN1; SMN2HTTHSD11B1HPGD | |
| SCHEMBL14814588 | 0.95 | ALDH1A1 (0.47) | ALDH1A1SMN1; SMN2HTTHSD11B1HPGD | |
| SCHEMBL14815367 | 0.89 | DRD2 (0.46) | ALDH1A1SMN1; SMN2HTTHSD11B1HPGD | |
| SCHEMBL14833253 | 0.79 | DRD2 (0.52) | ALDH1A1SMN1; SMN2HPGDHDAC8KMT2A | |
| SCHEMBL14814590 | 0.79 | DRD2 (0.52) | ALDH1A1SMN1; SMN2HPGDHDAC8KMT2A | |
| SCHEMBL14833216 | 0.79 | CCR2 (0.54) | SMN1; SMN2HSD11B1HPGDPOLBLMNA | |
| SCHEMBL14815069 | 0.79 | CCR2 (0.54) | SMN1; SMN2HSD11B1HPGDPOLBLMNA | |
| SCHEMBL14815282 | 0.79 | HSD11B1 (0.53) | SMN1; SMN2HSD11B1HPGDMGLLPOLB | |
| SCHEMBL14833207 | 0.79 | HSD11B1 (0.53) | SMN1; SMN2HSD11B1HPGDMGLLPOLB |
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-2013049164-A1 | SUBSTITUTED OCTAHYDROPYRROLO[1,2-a]PYRAZINES AS CALCIUM CHANNEL BLOCKERS | ABBVIE INC. (US) | 2013-04-04 | — | — | WO | disclosed |