Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MTNR1A | P48039 | 2/20 | 0.48 |
| ▸ | FPR1 | P21462 | 4/20 | 0.45 |
| ▸ | FPR2 | P25090 | 3/20 | 0.45 |
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.41 |
| ▸ | SCN8A | Q9UQD0 | 2/20 | 0.40 |
| ▸ | HTR2A | P28223 | 1/20 | 0.40 |
| ▸ | HTR2C | P28335 | 1/20 | 0.40 |
| ▸ | HTR2B | P41595 | 1/20 | 0.40 |
| ▸ | OPRL1 | P41146 | 3/20 | 0.39 |
| ▸ | PDE4A | P27815 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.39 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.39 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.39 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.39 |
| ▸ | PROKR1 | Q8TCW9 | 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 | |
|---|---|---|---|---|
| SCHEMBL15549178 | 0.84 | MTNR1A (0.50) | MTNR1AFPR1FPR2HTR2AHTR2C | |
| SCHEMBL20177918 | 0.81 | HTR2C (0.40) | FPR1FPR2GPBAR1HTR2AHTR2C | |
| SCHEMBL560175 | 0.81 | MTNR1A (0.48) | MTNR1AFPR1FPR2HTR2CPDE4A | |
| SCHEMBL18590494 | 0.81 | MTNR1A (0.48) | MTNR1APDE4AALDH1A1CYP1A2CYP2C19 | |
| SCHEMBL559712 | 0.81 | MTNR1A (0.48) | MTNR1AFPR1FPR2HTR2CPDE4A | |
| SCHEMBL559629 | 0.81 | MTNR1A (0.48) | MTNR1AFPR1FPR2HTR2CPDE4A | |
| SCHEMBL20177600 | 0.81 | MTNR1A (0.48) | MTNR1AFPR1FPR2PDE4AALDH1A1 | |
| Hydrochloric Acid SCHEMBL560453 | 0.80 | MTNR1A (0.47) | MTNR1AFPR1FPR2HTR2CPDE4A | |
| SCHEMBL20177579 | 0.79 | KDM1A (0.44) | MTNR1AFPR1FPR2SCN8AHTR2A | |
| SCHEMBL560148 | 0.79 | MTNR1A (0.46) | MTNR1AFPR1FPR2HTR2CPDE4A |
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-2018092916-A1 | NITROGEN-CONTAINING POLYCYCLIC HETEROCYCLIC DERIVATIVE | 宇部興産株式会社 | 2018-05-24 | — | — | WO | disclosed |