Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 14/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.43 |
| ▸ | NR1I3 | Q14994 | 1/20 | 0.42 |
| ▸ | PNMT | P11086 | 1/20 | 0.41 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL28656287 | 0.92 | HRH4 (0.40) | SIGMAR1CYP1A2CYP2D6TMEM97NR1I3 | |
| SCHEMBL28671119 | 0.80 | PTGS2 (0.41) | TAAR1PTGS2 | |
| SCHEMBL28655472 | 0.80 | QPCT (0.51) | SIGMAR1CYP1A2CYP2D6PTGS2 | |
| SCHEMBL28674290 | 0.79 | PTGS2 (0.47) | PTGS2 | |
| SCHEMBL28660929 | 0.79 | NR1I3 (0.39) | SIGMAR1CYP1A2CYP2D6TMEM97NR1I3 | |
| SCHEMBL28670315 | 0.77 | MAPT (0.47) | SIGMAR1CYP1A2KCNH2 | |
| SCHEMBL28668613 | 0.76 | SIGMAR1 (0.48) | SIGMAR1CYP1A2CYP2D6TMEM97NR1I3 | |
| SCHEMBL31415790 | 0.71 | HRH4 (0.43) | SIGMAR1CYP1A2CYP2D6TMEM97NR1I3 | |
| SCHEMBL28655459 | 0.70 | SMPD1 (0.51) | CYP1A2 | |
| SCHEMBL31415788 | 0.70 | HRH4 (0.45) | SIGMAR1CYP1A2CYP2D6TMEM97NR1I3 |
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 |
|---|---|---|---|---|---|---|---|
| CN-113692276-A | NURR1 receptor modulators | 加利福尼亚大学董事会 | 2021-11-23 | — | — | CN | disclosed |