Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 3/20 | 0.60 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.52 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.50 |
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | CASP3 | P42574 | 1/20 | 0.48 |
| ▸ | MAOA | P21397 | 1/20 | 0.48 |
| ▸ | MAOB | P27338 | 1/20 | 0.48 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.48 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.48 |
| ▸ | KCNK9 | Q9NPC2 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL28656982 | 0.80 | PTPN1 (0.89) | HPGDPTPN1ALDH1A1NPSR1LMNA | |
| SCHEMBL125695 | 0.80 | PTPN1 (0.89) | HPGDPTPN1ALDH1A1NPSR1LMNA | |
| SCHEMBL1946708 | 0.76 | NPSR1 (0.72) | HPGDPTPN1ALDH1A1KDM4EHSD17B10 | |
| SCHEMBL1300190 | 0.75 | HPGD (1.00) | HPGDPTPN1ALDH1A1NPSR1MEN1 | |
| SCHEMBL19703413 | 0.75 | HPGD (1.00) | HPGDPTPN1ALDH1A1NPSR1MEN1 | |
| SCHEMBL1948869 | 0.74 | NPSR1 (0.75) | HPGDPTPN1ALDH1A1KDM4EHSD17B10 | |
| SCHEMBL9851155 | 0.74 | PTPN1 (0.77) | HPGDPTPN1ALDH1A1HSD17B10NPSR1 | |
| SCHEMBL29057710 | 0.74 | PTPN1 (0.77) | HPGDPTPN1ALDH1A1HSD17B10NPSR1 | |
| SCHEMBL25730750 | 0.73 | HPGD (0.87) | HPGDPTPN1ALDH1A1NPSR1MEN1 | |
| SCHEMBL4668488 | 0.73 | HPGD (0.96) | HPGDPTPN1ALDH1A1KDM4ENPSR1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-102292319-A | Novel substituted octahydrocyclopenta(C)pyrrol-4-amines as calcium channel blockers | — | 2011-12-21 | — | — | CN | claimed |
| CN-102292319-A | Novel substituted octahydrocyclopenta(C)pyrrol-4-amines as calcium channel blockers | — | 2011-12-21 | — | — | CN | disclosed |