Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 3/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.32 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | NPC1 | O15118 | 2/20 | 0.32 |
| ▸ | RAB9A | P51151 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.32 |
| ▸ | THPO | P40225 | 1/20 | 0.32 |
| ▸ | PPM1B | O75688 | 1/20 | 0.32 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.32 |
| ▸ | PPP1CC | P36873 | 1/20 | 0.32 |
| ▸ | TFPI2 | P48307 | 1/20 | 0.32 |
| ▸ | PPP5C | P53041 | 1/20 | 0.32 |
| ▸ | PPP2CA | P67775 | 1/20 | 0.32 |
| ▸ | PPP1CA | P62136 | 1/20 | 0.32 |
| ▸ | GMNN | O75496 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL12359375 | 1.00 | TP53 (0.32) | TP53CYP3A4MAPK1HIF1ALMNA | |
| SCHEMBL10338131 | 0.84 | KDM4E (0.43) | KDM4ETDP1 | |
| SCHEMBL15726659 | 0.84 | KDM4E (0.43) | KDM4ETDP1 | |
| SCHEMBL195658 | 0.84 | KDM4E (0.43) | KDM4ETDP1 | |
| SCHEMBL3112271 | 0.84 | KDM4E (0.43) | KDM4ETDP1 | |
| SCHEMBL31490487 | 0.84 | KDM4E (0.43) | KDM4ETDP1 | |
| SCHEMBL15705605 | 0.76 | — | — | |
| Phthalic Anhydride SCHEMBL18393931 | 0.74 | TDP1 (0.41) | KDM4EMEN1KMT2ATDP1 | |
| SCHEMBL12891377 | 0.70 | KDM4E (0.40) | KDM4ETDP1 | |
| SCHEMBL6661182 | 0.69 | TDP1 (0.31) | KDM4ETDP1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3421468-B1 | METHODS OF PREPARING INHIBITORS OF INFLUENZA VIRUSES REPLICATION | VERTEX PHARMA (US) | 2020-11-04 | — | — | EP | disclosed |
| EP-3068782-B1 | METHODS OF PREPARING INHIBITORS OF INFLUENZA VIRUSES REPLICATION | VERTEX PHARMA (US) | 2018-05-23 | — | — | EP | disclosed |