Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CD | O00329 | 1/20 | 0.39 |
| ▸ | BRD4 | O60885 | 1/20 | 0.33 |
| ▸ | BRD2 | P25440 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.32 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.32 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.32 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.32 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.32 |
| ▸ | P2RX7 | Q99572 | 2/20 | 0.32 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.31 |
| ▸ | MMP3 | P08254 | 1/20 | 0.31 |
| ▸ | MMP9 | P14780 | 1/20 | 0.31 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | MME | P08473 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL17834070 | 0.89 | PIK3CD (0.33) | PIK3CDCYP3A4MAPK1MME | |
| SCHEMBL13789732 | 0.89 | PIK3CD (0.33) | PIK3CDCYP3A4MAPK1MME | |
| SCHEMBL17834041 | 0.89 | PIK3CD (0.33) | PIK3CDCYP3A4MAPK1MME | |
| SCHEMBL29060349 | 0.80 | PIK3CD (0.38) | PIK3CDLMNACYP3A4GAACYP2C9 | |
| SCHEMBL21593803 | 0.79 | PIK3CD (0.37) | PIK3CDLMNACYP3A4GAACYP2C9 | |
| SCHEMBL16421826 | 0.79 | BRD4 (0.37) | BRD4BRD2CHRNB2CHRNB4CHRNA3 | |
| SCHEMBL5991488 | 0.77 | IRAK4 (0.35) | PIK3CDBRD4BRD2P2RX7 | |
| SCHEMBL11188976 | 0.77 | BRD4 (0.35) | BRD4BRD2CHRNB2CHRNB4CHRNA3 | |
| SCHEMBL5991525 | 0.77 | POLB (0.38) | BRD4BRD2CHRNB2CHRNB4CHRNA3 | |
| SCHEMBL11661713 | 0.76 | BRD4 (0.42) | BRD4BRD2CHRNB2CHRNB4CHRNA3 |
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-2019238817-A1 | BIFUNCTIONAL MOLECULES FOR TARGETING RPN11 | UNIVERSITY OF DUNDEE (GB) | 2019-12-19 | — | — | WO | disclosed |