Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSK | P43235 | 4/20 | 0.48 |
| ▸ | CTSS | P25774 | 3/20 | 0.48 |
| ▸ | AAK1 | Q2M2I8 | 2/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.40 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.40 |
| ▸ | RELA | Q04206 | 2/20 | 0.40 |
| ▸ | GSTP1 | P09211 | 1/20 | 0.37 |
| ▸ | GSTM2 | P28161 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.37 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.37 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.37 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | CTSL | P07711 | 1/20 | 0.36 |
| ▸ | CACNA1B | Q00975 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL26573222 | 0.93 | CTSS (0.49) | CTSKCTSSAAK1NFKB1NFKB2 | |
| SCHEMBL16800 | 0.92 | CTSK (0.53) | CTSKCTSSAAK1NFKB1NFKB2 | |
| SCHEMBL2199572 | 0.92 | CTSK (0.53) | CTSKCTSSAAK1NFKB1NFKB2 | |
| SCHEMBL2199576 | 0.92 | CTSK (0.53) | CTSKCTSSAAK1NFKB1NFKB2 | |
| SCHEMBL16119327 | 0.88 | CTSS (0.52) | CTSKCTSSAAK1KMT2AHDAC4 | |
| SCHEMBL26120706 | 0.88 | CTSS (0.52) | CTSKCTSSAAK1KMT2AHDAC4 | |
| SCHEMBL7084925 | 0.85 | CTSS (0.63) | CTSKCTSSAAK1NFKB1NFKB2 | |
| SCHEMBL6078092 | 0.85 | CTSS (0.63) | CTSKCTSSAAK1NFKB1NFKB2 | |
| SCHEMBL14151599 | 0.85 | CTSS (0.63) | CTSKCTSSAAK1NFKB1NFKB2 | |
| SCHEMBL24740517 | 0.84 | CTSS (0.44) | CTSKCTSSAAK1NFKB1NFKB2 |
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-2023180189-A1 | MPRO TARGETING ANTIVIRAL COMPOUNDS | EXSCIENTIA AI LIMITED (GB) | 2023-09-28 | — | — | WO | disclosed |