Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPN1 | P18031 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | BRD4 | O60885 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.34 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.34 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.32 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.32 |
| ▸ | NAMPT | P43490 | 1/20 | 0.32 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.32 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.32 |
| ▸ | RELA | Q04206 | 1/20 | 0.32 |
| ▸ | ATM | Q13315 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL2350221 | 0.75 | NFKB1 (0.38) | ALDH1A1MEN1KMT2AKDM4EDDB1 | |
| SCHEMBL18094061 | 0.73 | PTPN1 (0.40) | PTPN1ALDH1A1BRD4MAPK1NR1H2 | |
| SCHEMBL21561528 | 0.73 | PTPN1 (0.40) | PTPN1ALDH1A1BRD4MAPK1NR1H2 | |
| SCHEMBL3430499 | 0.73 | PTPN1 (0.40) | PTPN1ALDH1A1BRD4MAPK1NR1H2 | |
| SCHEMBL3430523 | 0.73 | PTPN1 (0.40) | PTPN1ALDH1A1BRD4MAPK1NR1H2 | |
| SCHEMBL2797179 | 0.73 | NFKB1 (0.40) | ALDH1A1MAPK1MEN1KMT2AKDM4E | |
| SCHEMBL30674686 | 0.73 | NFKB1 (0.40) | ALDH1A1MAPK1MEN1KMT2AKDM4E | |
| SCHEMBL38659661 | 0.73 | HSD17B10 (0.37) | ALDH1A1NR1H2NR1H3DDB1CRBN | |
| SCHEMBL2500125 | 0.71 | PTPN1 (0.41) | PTPN1ALDH1A1NR1H2NR1H3CYP1A2 | |
| SCHEMBL7500751 | 0.70 | NR1H2 (0.41) | NR1H2NR1H3KDM4EPKM |
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-2018066718-A1 | THERAPEUTIC COMPOUNDS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2018-04-12 | — | — | WO | disclosed |