Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | SIGMAR1 | Q99720 | 6/20 | 0.35 |
| ▸ | EBP | Q15125 | 3/20 | 0.35 |
| ▸ | MMP2 | P08253 | 3/20 | 0.35 |
| ▸ | MMP3 | P08254 | 3/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.32 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL11022708 | 0.79 | TAAR1 (0.36) | SIGMAR1EBPMMP2MMP3 | |
| SCHEMBL11022683 | 0.78 | SIGMAR1 (0.49) | SIGMAR1KCNH2 | |
| SCHEMBL11022687 | 0.77 | SIGMAR1 (0.58) | SIGMAR1EBPSLC6A2SLC6A4SLC6A3 | |
| SCHEMBL22117248 | 0.75 | SIGMAR1 (0.47) | CYP1A2CYP2C9CYP2C19SIGMAR1MMP2 | |
| SCHEMBL11022228 | 0.74 | SIGMAR1 (0.50) | SIGMAR1EBPKCNH2 | |
| SCHEMBL11022231 | 0.72 | SIGMAR1 (0.65) | SIGMAR1EBPKCNH2 | |
| SCHEMBL27999740 | 0.72 | SIGMAR1 (0.53) | SIGMAR1SLC6A2SLC6A4SLC6A3CYP3A4 | |
| SCHEMBL11024418 | 0.71 | KCNH2 (0.35) | SIGMAR1EBPSLC6A2SLC6A4SLC6A3 | |
| SCHEMBL6560515 | 0.70 | KIF11 (0.42) | SIGMAR1 | |
| SCHEMBL13061188 | 0.69 | TAAR1 (0.47) | SIGMAR1SLC6A2SLC6A4SLC6A3CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0082266-B1 | SUBSTITUTED 1,5-DIAMINOPENTANES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | BASF Aktiengesellschaft (DE) | 1985-01-09 | — | — | EP | disclosed |
| EP-0082266-A1 | Substituted 1,5-diaminopentanes, their preparation and pharmaceutical compositions containing them | BASF Aktiengesellschaft (DE) | 1983-06-29 | — | — | EP | disclosed |