Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 7/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | HTR1A | P08908 | 1/20 | 0.38 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.38 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.38 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.38 |
| ▸ | DRD4 | P21917 | 1/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.38 |
| ▸ | HTR2C | P28335 | 1/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.38 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.38 |
| ▸ | HTR2B | P41595 | 1/20 | 0.38 |
| ▸ | HTR5A | P47898 | 1/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.38 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL1989472 | 0.80 | POLB (0.47) | SIGMAR1POLBCYP2C9CHRM4CHRM2 | |
| SCHEMBL3016371 | 0.74 | POLB (0.47) | SIGMAR1POLBCLPPCHRM4ALDH1A1 | |
| SCHEMBL12604006 | 0.71 | SIGMAR1 (0.40) | SIGMAR1HTR1AADRA2AADRA2BADRA2C | |
| SCHEMBL1824893 | 0.70 | SIGMAR1 (0.40) | SIGMAR1POLBDRD4OPRK1MAPK1 | |
| SCHEMBL1989593 | 0.70 | HRH3 (0.42) | SIGMAR1POLBCHRM4CHRM2ALDH1A1 | |
| SCHEMBL3003772 | 0.69 | CHRM5 (0.48) | POLBCHRM4CHRM2ALDH1A1LMNA | |
| SCHEMBL6924640 | 0.68 | MEN1 (0.55) | SIGMAR1HTR1ADRD4OPRK1MAPK1 | |
| SCHEMBL13393856 | 0.68 | SIGMAR1 (0.36) | SIGMAR1POLBDRD4USP2CYP1A2 | |
| SCHEMBL16226483 | 0.67 | ALDH1A1 (0.69) | SIGMAR1POLBDRD4ALDH1A1HTT | |
| SCHEMBL17474564 | 0.66 | CHRM5 (0.59) | CHRM4CHRM2LMNAMAPT |
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-2513084-A1 | PYRROLIDINE DERIVATIVES AS NK - 3 RECEPTOR ANTAGONISTS | F. Hoffmann-La Roche AG (CH) | 2012-10-24 | — | — | EP | disclosed |
| WO-2011073160-A1 | PYRROLIDINE DERIVATIVES AS NK - 3 RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2011-06-23 | — | — | WO | disclosed |