Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 4/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | NPR1 | P16066 | 1/20 | 0.38 |
| ▸ | BLM | P54132 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | ADRA1A | P35348 | 3/20 | 0.33 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | THRB | P10828 | 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 | |
|---|---|---|---|---|
| SCHEMBL20177891 | 1.00 | BRD4 (0.48) | BRD4CYP3A4TSHRTP53CYP1A2 | |
| SCHEMBL20177496 | 0.67 | GRM2 (0.44) | BRD4TSHRTP53PKMADRA1A | |
| SCHEMBL20177639 | 0.67 | GRM2 (0.44) | BRD4TSHRTP53PKMADRA1A | |
| SCHEMBL5612 | 0.64 | BRD4 (0.53) | BRD4CYP3A4CYP2C9CYP2C19HSD17B10 | |
| SCHEMBL657720 | 0.63 | BRD4 (0.49) | BRD4CYP2C9CYP2C19MDM2MEN1 | |
| SCHEMBL20341692 | 0.62 | BRD4 (0.47) | BRD4CYP3A4TSHRCYP1A2CYP2C9 | |
| SCHEMBL7688021 | 0.61 | MAPT (0.63) | BRD4TP53TDP1CYP2C9CYP2C19 | |
| SCHEMBL1673541 | 0.59 | LMNA (0.49) | BRD4TP53CYP2C9CYP2C19HSD17B10 | |
| SCHEMBL20177610 | 0.59 | BRD4 (0.41) | BRD4CYP3A4TSHRCYP1A2PKM | |
| SCHEMBL20177535 | 0.59 | BRD4 (0.41) | BRD4CYP3A4TSHRCYP1A2PKM |
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 |