Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA1D | P25100 | 2/20 | 0.59 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.59 |
| ▸ | ADRA1B | P35368 | 2/20 | 0.59 |
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.52 |
| ▸ | EBP | Q15125 | 2/20 | 0.52 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.52 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | MTOR | P42345 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.48 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL1332712 | 0.83 | CYP2D6 (0.59) | ADRA1DADRA1AADRA1BSIGMAR1EBP | |
| SCHEMBL1334263 | 0.83 | SIGMAR1 (0.68) | ADRA1DADRA1AADRA1BSIGMAR1EBP | |
| SCHEMBL12126795 | 0.79 | SIGMAR1 (0.62) | ADRA1DADRA1AADRA1BSIGMAR1EBP | |
| SCHEMBL7030738 | 0.78 | SIGMAR1 (0.61) | ADRA1DADRA1AADRA1BSIGMAR1EBP | |
| SCHEMBL12165084 | 0.78 | SIGMAR1 (0.61) | ADRA1DADRA1AADRA1BSIGMAR1EBP | |
| SCHEMBL1332065 | 0.78 | SIGMAR1 (0.61) | ADRA1DADRA1AADRA1BSIGMAR1EBP | |
| Hydrochloric Acid SCHEMBL1332727 | 0.77 | SIGMAR1 (0.60) | ADRA1DADRA1AADRA1BSIGMAR1EBP | |
| SCHEMBL1332200 | 0.76 | SIGMAR1 (0.69) | ADRA1DADRA1AADRA1BSIGMAR1EBP | |
| Hydrochloric Acid SCHEMBL1332118 | 0.75 | SIGMAR1 (0.67) | ADRA1DADRA1AADRA1BSIGMAR1EBP | |
| SCHEMBL1333821 | 0.75 | SIGMAR1 (0.58) | ADRA1DADRA1AADRA1BSIGMAR1EBP |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101511187-B | Piperidine and piperazine derivatives | MS SCIENCE CORP | 2012-07-04 | — | — | CN | disclosed |
| CN-101448503-B | Piperidine and piperazine derivatives | MS SCIENCE CORP | 2011-04-13 | — | — | CN | disclosed |
| CN-101511187-A | Piperidine and piperazine derivatives | MS SCIENCE CORP (JP) | 2009-08-19 | — | — | CN | disclosed |
| CN-101448503-A | Piperidine and piperazine derivatives | MS SCIENCE CORP (JP) | 2009-06-03 | — | — | CN | disclosed |