Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AAK1 | Q2M2I8 | 2/20 | 0.35 |
| ▸ | MMP13 | P45452 | 1/20 | 0.35 |
| ▸ | FOLH1 | Q04609 | 2/20 | 0.34 |
| ▸ | NAALAD2 | Q9Y3Q0 | 2/20 | 0.34 |
| ▸ | ENPEP | Q07075 | 2/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.34 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.34 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.34 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.34 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.34 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.34 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.34 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.34 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.34 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL20938721 | 0.90 | GABRR1 (0.38) | AAK1MMP13FOLH1NAALAD2HDAC1 | |
| SCHEMBL24677037 | 0.81 | AAK1 (0.38) | AAK1MMP13HDAC1HDAC2HDAC6 | |
| SCHEMBL27811549 | 0.79 | GABRP (0.38) | AAK1MMP13FOLH1HDAC1HDAC2 | |
| SCHEMBL21949882 | 0.79 | AAK1 (0.35) | AAK1MMP13HDAC1HDAC2HDAC6 | |
| SCHEMBL618047 | 0.79 | CHRNB2 (0.37) | AAK1MMP13HDAC1HDAC2HDAC6 | |
| SCHEMBL24881082 | 0.79 | CA1 (0.38) | AAK1MMP13HDAC1HDAC2HDAC6 | |
| SCHEMBL7351512 | 0.79 | AAK1 (0.34) | AAK1MMP13HDAC1HDAC2HDAC6 | |
| SCHEMBL23773855 | 0.79 | CHRNB2 (0.37) | AAK1MMP13HDAC1HDAC2HDAC6 | |
| SCHEMBL10473406 | 0.79 | AAK1 (0.34) | AAK1MMP13HDAC1HDAC2HDAC6 | |
| SCHEMBL86238 | 0.78 | AAK1 (0.35) | AAK1MMP13HDAC1HDAC2HDAC6 |
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 4 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 | disclosed |
| WO-2011149995-A1 | NOVEL SUBSTITUTED OCTAHYDROCYCLOPENTA [C]PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS | ABBOTT LABORATORIES (US) | 2011-12-01 | — | — | WO | disclosed |
| EP-2367790-A2 | SUBSTITUTED OCTAHYDROCYCLOPENTA(C)PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS | Abbott Laboratories (US) | 2011-09-28 | — | — | EP | disclosed |
| WO-2010062927-A2 | NOVEL SUBSTITUTED OCTAHYDROCYCLOPENTA(C)PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS | ABBOTT LABORATORIES (US) | 2010-06-03 | — | — | WO | disclosed |