Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 8/20 | 0.40 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | FPR1 | P21462 | 2/20 | 0.37 |
| ▸ | FPR2 | P25090 | 2/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | P2RX4 | Q99571 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | ACHE | P22303 | 1/20 | 0.35 |
| ▸ | BRD4 | O60885 | 1/20 | 0.35 |
| ▸ | BRD2 | P25440 | 1/20 | 0.35 |
| ▸ | BRD3 | Q15059 | 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 | |
|---|---|---|---|---|
| SCHEMBL20177832 | 0.90 | CA1 (0.43) | CYP3A4KCNQ2TSHRFPR1FPR2 | |
| SCHEMBL20177846 | 0.87 | KDM1A (0.40) | CYP3A4KCNQ2PKMHTTSMN1; SMN2 | |
| SCHEMBL20177594 | 0.77 | FPR2 (0.59) | CYP3A4FPR1FPR2 | |
| SCHEMBL20177499 | 0.76 | SMN1; SMN2 (0.37) | KCNQ2PKMHTTSMN1; SMN2MAPT | |
| SCHEMBL18106745 | 0.75 | CA1 (0.47) | KCNQ2FPR1FPR2CA1CA2 | |
| SCHEMBL18106743 | 0.75 | CA1 (0.47) | KCNQ2FPR1FPR2CA1CA2 | |
| SCHEMBL29434434 | 0.75 | CA1 (0.47) | KCNQ2FPR1FPR2CA1CA2 | |
| SCHEMBL20177604 | 0.75 | FPR2 (0.47) | CYP3A4KCNQ2PKMHTTSMN1; SMN2 | |
| SCHEMBL16785496 | 0.74 | FPR1 (0.47) | CYP3A4KCNQ2TSHRFPR1FPR2 | |
| SCHEMBL29434315 | 0.74 | FPR1 (0.47) | CYP3A4KCNQ2TSHRFPR1FPR2 |
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 |