Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | CNR2 | P34972 | 1/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.42 |
| ▸ | PTGES | O14684 | 2/20 | 0.42 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.42 |
| ▸ | PPARG | P37231 | 2/20 | 0.42 |
| ▸ | CTSK | P43235 | 1/20 | 0.40 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.40 |
| ▸ | HTR1A | P08908 | 1/20 | 0.40 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.40 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.40 |
| ▸ | DRD1 | P21728 | 1/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.40 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.40 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.40 |
| ▸ | DRD3 | P35462 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL27902892 | 0.92 | KCNH2 (0.46) | SIGMAR1CNR2KCNH2CTSKCHRM2 | |
| Ammonia Solution, Strong SCHEMBL5427415 | 0.91 | CSNK1E (0.46) | SIGMAR1CYP1A2CYP2C9CYP2C19CNR2 | |
| SCHEMBL28071575 | 0.90 | FDFT1 (0.46) | — | |
| SCHEMBL29187623 | 0.85 | ALDH1A1 (0.48) | CNR2HTR2A | |
| SCHEMBL11874051 | 0.82 | CSNK1E (0.47) | SIGMAR1CNR2CTSKSLC6A2SLC6A4 | |
| SCHEMBL6685679 | 0.82 | TP53 (0.42) | SIGMAR1 | |
| SCHEMBL8438900 | 0.81 | MAOA (0.55) | SIGMAR1CYP1A2CYP2C19HTR2A | |
| SCHEMBL8101237 | 0.80 | SIGMAR1 (0.48) | SIGMAR1CYP1A2CYP2C9CYP2C19CNR2 | |
| SCHEMBL28322341 | 0.80 | SIGMAR1 (0.48) | SIGMAR1CYP1A2CYP2C9CYP2C19CNR2 | |
| Butylbenzyl SCHEMBL28488315 | 0.79 | ALDH1A1 (0.53) | SIGMAR1KCNH2CHRM2HTR1AADRA2A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4039793-A | PRODUCTION OF MONOCHLORO- AND ARYL SUBSTITUTED SATURATED COMPOUNDS | UOP INC. (US) | 1977-08-02 | — | — | US | disclosed |