Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 13/20 | 0.65 |
| ▸ | HTR2A | P28223 | 11/20 | 0.65 |
| ▸ | HTR2C | P28335 | 11/20 | 0.65 |
| ▸ | HTR2B | P41595 | 11/20 | 0.65 |
| ▸ | DRD2 | P14416 | 11/20 | 0.55 |
| ▸ | CES1 | P23141 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.42 |
| ▸ | MAOA | P21397 | 1/20 | 0.42 |
| ▸ | MAOB | P27338 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.41 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL7887209 | 0.89 | SIGMAR1 (0.60) | SIGMAR1HTR2AHTR2CHTR2BDRD2 | |
| SCHEMBL18494326 | 0.88 | SIGMAR1 (0.74) | SIGMAR1HTR2AHTR2CHTR2BDRD2 | |
| SCHEMBL18494688 | 0.85 | SIGMAR1 (0.70) | SIGMAR1HTR2AHTR2CHTR2BDRD2 | |
| SCHEMBL8778970 | 0.85 | SIGMAR1 (0.70) | SIGMAR1HTR2AHTR2CHTR2BDRD2 | |
| SCHEMBL7887715 | 0.83 | SIGMAR1 (0.54) | SIGMAR1HTR2AHTR2CHTR2BDRD2 | |
| SCHEMBL7500484 | 0.83 | SIGMAR1 (0.68) | SIGMAR1HTR2AHTR2CHTR2BDRD2 | |
| SCHEMBL6798794 | 0.82 | HTR2A (0.47) | SIGMAR1HTR2AHTR2CHTR2BDRD2 | |
| SCHEMBL6799161 | 0.82 | PBRM1 (0.47) | SIGMAR1HTR2AHTR2CHTR2BDRD2 | |
| SCHEMBL11500029 | 0.82 | SIGMAR1 (0.51) | SIGMAR1HTR2AHTR2CHTR2BDRD2 | |
| SCHEMBL31599138 | 0.82 | SIGMAR1 (0.51) | SIGMAR1HTR2AHTR2CHTR2BDRD2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6235789-B1 | GLANDULAR DISORDERS; SLEEP DISORDERS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2001-05-22 | — | — | US | disclosed |
| EP-0781271-A1 | BENZOCYCLOALKENE COMPOUNDS, THEIR PRODUCTION AND USE | Takeda Chemical Industries, Ltd. (JP) | 1997-07-02 | — | — | EP | disclosed |
| WO-1996008466-A1 | BENZOCYCLOALKENE COMPOUNDS, THEIR PRODUCTION AND USE | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1996-03-21 | — | — | WO | disclosed |