Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 9/20 | 0.53 |
| ▸ | HTR2A | P28223 | 7/20 | 0.53 |
| ▸ | HTR2C | P28335 | 7/20 | 0.53 |
| ▸ | HTR2B | P41595 | 7/20 | 0.53 |
| ▸ | CES1 | P23141 | 1/20 | 0.48 |
| ▸ | DRD2 | P14416 | 7/20 | 0.45 |
| ▸ | MAPT | P10636 | 3/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.44 |
| ▸ | MAOA | P21397 | 1/20 | 0.44 |
| ▸ | MAOB | P27338 | 1/20 | 0.44 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.41 |
| ▸ | PARP1 | P09874 | 1/20 | 0.41 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.41 |
| ▸ | PARP11 | Q9NR21 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL29439422 | 1.00 | SIGMAR1 (0.53) | SIGMAR1HTR2AHTR2CHTR2BCES1 | |
| SCHEMBL28680441 | 0.81 | SIGMAR1 (0.50) | SIGMAR1HTR2AHTR2CHTR2BCES1 | |
| SCHEMBL29683505 | 0.81 | SIGMAR1 (0.50) | SIGMAR1HTR2AHTR2CHTR2BCES1 | |
| SCHEMBL29683795 | 0.81 | SIGMAR1 (0.50) | SIGMAR1HTR2AHTR2CHTR2BCES1 | |
| SCHEMBL28750475 | 0.81 | SIGMAR1 (0.50) | SIGMAR1HTR2AHTR2CHTR2BCES1 | |
| SCHEMBL6448738 | 0.81 | SIGMAR1 (0.54) | SIGMAR1HTR2AHTR2CHTR2BCES1 | |
| SCHEMBL28750469 | 0.81 | SIGMAR1 (0.50) | SIGMAR1HTR2AHTR2CHTR2BCES1 | |
| SCHEMBL4459204 | 0.79 | NPSR1 (0.50) | SIGMAR1HTR2AHTR2CHTR2BCES1 | |
| SCHEMBL31237962 | 0.78 | SIGMAR1 (0.54) | SIGMAR1HTR2AHTR2CHTR2BCES1 | |
| SCHEMBL18494326 | 0.78 | SIGMAR1 (0.74) | SIGMAR1HTR2AHTR2CHTR2BCES1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2021060276-A1 | FLUORINATING AGENT AND METHOD FOR PRODUCING FLUORINE-CONTAINING COMPOUNDS | ＡＧＣ株式会社 | 2021-04-01 | — | — | WO | disclosed |
| WO-2009141096-A1 | SUBSTITUTED SPIRO-ISOXAZOLINES | BAYER CROPSCIENCE AG (DE) | 2009-11-26 | — | — | WO | disclosed |