Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | VCP | P55072 | 3/20 | 0.57 |
| ▸ | FBP1 | P09467 | 13/20 | 0.52 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.46 |
| ▸ | MITF | O75030 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | PSMD14 | O00487 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | EGFR | P00533 | 2/20 | 0.39 |
| ▸ | ABL1 | P00519 | 1/20 | 0.39 |
| ▸ | ABL2 | P42684 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL16785379 | 0.84 | VCP (0.53) | VCPFBP1HSP90AA1MITFALDH1A1 | |
| SCHEMBL20177890 | 0.84 | VCP (0.53) | VCPFBP1HSP90AA1MITFALDH1A1 | |
| SCHEMBL18590414 | 0.84 | VCP (0.53) | VCPFBP1HSP90AA1MITFALDH1A1 | |
| SCHEMBL18106421 | 0.84 | VCP (0.53) | VCPFBP1HSP90AA1MITFALDH1A1 | |
| SCHEMBL20177741 | 0.84 | VCP (0.53) | VCPFBP1HSP90AA1MITFALDH1A1 | |
| SCHEMBL17048998 | 0.80 | HSP90AA1 (0.61) | VCPFBP1HSP90AA1MITFALDH1A1 | |
| SCHEMBL17048996 | 0.80 | HSP90AA1 (0.61) | VCPFBP1HSP90AA1MITFALDH1A1 | |
| SCHEMBL18579309 | 0.80 | VCP (0.48) | VCPFBP1HSP90AA1MITFALDH1A1 | |
| SCHEMBL16785470 | 0.80 | FBP1 (0.53) | VCPFBP1HSP90AA1MITFALDH1A1 | |
| SCHEMBL18106533 | 0.80 | VCP (0.48) | VCPFBP1HSP90AA1MITFALDH1A1 |
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 |