Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.39 |
| ▸ | HTR2C | P28335 | 7/20 | 0.38 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.37 |
| ▸ | QDPR | P09417 | 2/20 | 0.37 |
| ▸ | CHRNB4 | P30926 | 2/20 | 0.33 |
| ▸ | CHRNA3 | P32297 | 2/20 | 0.33 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.33 |
| ▸ | ESR1 | P03372 | 1/20 | 0.33 |
| ▸ | CHRNG | P07510 | 1/20 | 0.33 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.33 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.33 |
| ▸ | CHRNA5 | P30532 | 1/20 | 0.33 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.33 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.33 |
| ▸ | HTR3A | P46098 | 1/20 | 0.33 |
| ▸ | CHRND | Q07001 | 1/20 | 0.33 |
| ▸ | CHRNA2 | Q15822 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL2596338 | 0.76 | SSTR4 (0.33) | CHRNB4CHRNA3CHRNA1ESR1CHRNG | |
| SCHEMBL2596358 | 0.71 | PDE10A (0.64) | — | |
| SCHEMBL9988016 | 0.70 | PDE10A (0.47) | ALDH1A1 | |
| SCHEMBL7698167 | 0.67 | PDE10A (0.50) | — | |
| SCHEMBL4004663 | 0.67 | SIGMAR1 (0.47) | SIGMAR1HTR2CQDPRKDM4EALDH1A1 | |
| SCHEMBL7454398 | 0.67 | SIGMAR1 (0.47) | SIGMAR1HTR2CQDPR | |
| SCHEMBL4004617 | 0.67 | SIGMAR1 (0.49) | SIGMAR1HTR2CHRH3QDPR | |
| Hydrochloric Acid SCHEMBL9988279 | 0.66 | PDE10A (0.49) | — | |
| Hydrochloric Acid SCHEMBL3790021 | 0.66 | HTR2C (0.49) | SIGMAR1HTR2CQDPRKDM4EALDH1A1 | |
| SCHEMBL7466655 | 0.65 | SIGMAR1 (0.53) | SIGMAR1HTR2CHRH3QDPRKDM4E |
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 |
|---|---|---|---|---|---|---|---|
| EP-2569300-A1 | NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS | Amgen Inc. (US) | 2013-03-20 | — | — | EP | disclosed |
| WO-2011143365-A1 | NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS | AMGEN INC. (US) | 2011-11-17 | — | — | WO | disclosed |