Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 7/20 | 0.46 |
| ▸ | TAAR1 | Q96RJ0 | 5/20 | 0.46 |
| ▸ | SLC18A2 | Q05940 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.44 |
| ▸ | MAOA | P21397 | 1/20 | 0.44 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.44 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.44 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.44 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL25454550 | 0.81 | CTSC (0.51) | SIGMAR1TAAR1SLC18A2SLC6A2MAOA | |
| SCHEMBL1310109 | 0.81 | TAAR1 (0.53) | SIGMAR1TAAR1SLC18A2MEN1KMT2A | |
| SCHEMBL1086155 | 0.81 | TAAR1 (0.53) | SIGMAR1TAAR1SLC18A2MEN1KMT2A | |
| SCHEMBL6852331 | 0.81 | TAAR1 (0.53) | SIGMAR1TAAR1SLC18A2MEN1KMT2A | |
| SCHEMBL6513822 | 0.79 | CTSC (0.44) | SIGMAR1TAAR1SLC18A2MEN1KMT2A | |
| SCHEMBL1308859 | 0.79 | CTSC (0.44) | SIGMAR1TAAR1SLC18A2MEN1KMT2A | |
| SCHEMBL1308857 | 0.79 | CTSC (0.44) | SIGMAR1TAAR1SLC18A2MEN1KMT2A | |
| SCHEMBL4314476 | 0.78 | SIGMAR1 (0.56) | SIGMAR1TAAR1SLC18A2MEN1KMT2A | |
| SCHEMBL8340029 | 0.78 | SIGMAR1 (0.56) | SIGMAR1TAAR1SLC18A2MEN1KMT2A | |
| SCHEMBL3703095 | 0.77 | MME (0.54) | CYP1A2 |
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 |