Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA1B | Q00975 | 3/20 | 0.53 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.51 |
| ▸ | ACKR3 | P25106 | 1/20 | 0.46 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.44 |
| ▸ | FAAH | O00519 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | HTT | P42858 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | GLA | P06280 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.41 |
| ▸ | CCR5 | P51681 | 1/20 | 0.40 |
| ▸ | DRD4 | P21917 | 2/20 | 0.40 |
| ▸ | HTR4 | Q13639 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL67438 | 1.00 | CACNA1B (0.53) | CACNA1BKCNH2ACKR3SIGMAR1FAAH | |
| SCHEMBL65881 | 0.92 | CACNA1B (0.52) | CACNA1BKCNH2ACKR3MEN1KMT2A | |
| SCHEMBL16497753 | 0.92 | CACNA1B (0.52) | CACNA1BKCNH2ACKR3MEN1KMT2A | |
| SCHEMBL2842532 | 0.92 | CACNA1B (0.52) | CACNA1BKCNH2ACKR3MEN1KMT2A | |
| SCHEMBL2842533 | 0.92 | CACNA1B (0.52) | CACNA1BKCNH2ACKR3MEN1KMT2A | |
| SCHEMBL67094 | 0.92 | CACNA1B (0.52) | CACNA1BKCNH2ACKR3MEN1KMT2A | |
| SCHEMBL67560 | 0.92 | CACNA1B (0.52) | CACNA1BKCNH2ACKR3MEN1KMT2A | |
| SCHEMBL67382 | 0.91 | CACNA1B (0.49) | CACNA1BKCNH2ACKR3SIGMAR1MEN1 | |
| SCHEMBL16497798 | 0.91 | CACNA1B (0.49) | CACNA1BKCNH2ACKR3SIGMAR1MEN1 | |
| SCHEMBL65591 | 0.90 | CACNA1B (0.53) | CACNA1BKCNH2ACKR3FAAHMEN1 |
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-2011149995-A1 | NOVEL SUBSTITUTED OCTAHYDROCYCLOPENTA [C]PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS | ABBOTT LABORATORIES (US) | 2011-12-01 | — | — | WO | claimed |
| WO-2011149995-A1 | NOVEL SUBSTITUTED OCTAHYDROCYCLOPENTA [C]PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS | ABBOTT LABORATORIES (US) | 2011-12-01 | — | — | WO | disclosed |