Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | GSK3B | P49841 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | CNR2 | P34972 | 3/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | ACHE | P22303 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | TACR2 | P21452 | 1/20 | 0.35 |
| ▸ | TACR1 | P25103 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL20177557 | 0.90 | CA1 (0.42) | NPC1KCNQ2CA1CA2ACHE | |
| SCHEMBL20177642 | 0.88 | SMN1; SMN2 (0.39) | SMN1; SMN2PKMHTTGSK3BNPC1 | |
| SCHEMBL20177613 | 0.76 | FPR2 (0.58) | SMN1; SMN2PKMHTTMAPTALDH1A1 | |
| SCHEMBL20177899 | 0.76 | CYP3A4 (0.40) | SMN1; SMN2PKMHTTMAPTKCNQ2 | |
| SCHEMBL20177594 | 0.75 | FPR2 (0.59) | — | |
| SCHEMBL20177845 | 0.75 | BRD4 (0.47) | NPC1KCNQ2CA1CA2ACHE | |
| SCHEMBL20177563 | 0.74 | FPR2 (0.45) | HTTNPC1MAPTGAAALDH1A1 | |
| SCHEMBL20177604 | 0.74 | FPR2 (0.47) | SMN1; SMN2PKMHTTKCNQ2ALDH1A1 | |
| SCHEMBL20177512 | 0.74 | FPR2 (0.59) | — | |
| SCHEMBL20177909 | 0.73 | BRD4 (0.43) | NPC1KCNQ2CA1CA2ACHE |
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 |