Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | FDPS | P14324 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | BCHE | P06276 | 1/20 | 0.31 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.31 |
| ▸ | HTR1A | P08908 | 1/20 | 0.31 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.31 |
| ▸ | MAOA | P21397 | 1/20 | 0.31 |
| ▸ | DRD1 | P21728 | 1/20 | 0.31 |
| ▸ | ACHE | P22303 | 1/20 | 0.31 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.31 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL1612949 | 1.00 | TSHR (0.35) | TSHRFDPSKDM4ESLC22A1ALDH1A1 | |
| SCHEMBL2565949 | 0.87 | FDPS (0.33) | FDPSKDM4ESLC22A1ALDH1A1CYP1A2 | |
| SCHEMBL19889381 | 0.86 | FDPS (0.34) | TSHRFDPSBCHECYP2D6HSP90AA1 | |
| SCHEMBL5949130 | 0.82 | DNM1 (0.38) | TSHRFDPSALDH1A1OPRM1 | |
| SCHEMBL2565897 | 0.81 | OPRM1 (0.33) | FDPSKDM4ESLC22A1ALDH1A1CYP1A2 | |
| SCHEMBL2565496 | 0.81 | FDPS (0.31) | FDPSKDM4ESLC22A1ALDH1A1CYP1A2 | |
| SCHEMBL5948784 | 0.80 | OPRM1 (0.46) | OPRM1 | |
| SCHEMBL9949348 | 0.80 | TSHR (0.37) | TSHRALDH1A1HSP90AA1HSP90AB1 | |
| SCHEMBL11446973 | 0.80 | HSP90AA1 (0.32) | HSP90AA1HSP90AB1 | |
| SCHEMBL20344865 | 0.79 | FDPS (0.37) | TSHRFDPSBCHE |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012085648-A1 | PHOSPHORUS-SUBSTITUTED QUINOXALINE-TYPE PIPERIDINE COMPOUNDS AND USES THEREOF | PURDUE PHARMA L.P. (US) | 2012-06-28 | — | — | WO | disclosed |