Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | CNR2 | P34972 | 1/20 | 0.45 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.42 |
| ▸ | HTR1A | P08908 | 1/20 | 0.42 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.42 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.42 |
| ▸ | DRD1 | P21728 | 1/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.42 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.42 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.42 |
| ▸ | DRD3 | P35462 | 1/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.42 |
| ▸ | PTGES | O14684 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL28322341 | 1.00 | SIGMAR1 (0.48) | SIGMAR1CYP1A2CYP2C9CYP2C19CNR2 | |
| SCHEMBL8095818 | 0.94 | SIGMAR1 (0.52) | SIGMAR1CYP1A2CYP2C9CYP2C19CNR2 | |
| SCHEMBL28615324 | 0.92 | KCNH2 (0.50) | SIGMAR1CNR2KCNH2 | |
| SCHEMBL8101264 | 0.92 | KCNH2 (0.50) | SIGMAR1CNR2KCNH2 | |
| SCHEMBL8094324 | 0.92 | KCNH2 (0.50) | SIGMAR1CNR2KCNH2 | |
| SCHEMBL8087311 | 0.92 | KCNH2 (0.50) | SIGMAR1CNR2KCNH2 | |
| SCHEMBL8086378 | 0.92 | KCNH2 (0.50) | SIGMAR1CNR2KCNH2 | |
| SCHEMBL8094273 | 0.92 | KCNH2 (0.50) | SIGMAR1CNR2KCNH2 | |
| SCHEMBL8098880 | 0.92 | KCNH2 (0.50) | SIGMAR1CNR2KCNH2 | |
| SCHEMBL8087747 | 0.92 | KCNH2 (0.50) | SIGMAR1CNR2KCNH2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0708077-B1 | Diamino compounds and methods for preparing them | CHISSO CORP (JP) | 2000-12-27 | — | — | EP | disclosed |
| US-5663440-A | Diamino compounds and methods for preparing them | CHISSO CORPORATION (JP) | 1997-09-02 | — | — | US | disclosed |
| EP-0708077-A1 | Diamino compounds and methods for preparing them | CHISSO CORPORATION (JP) | 1996-04-24 | — | — | EP | disclosed |