Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | PRSS1 | P07477 | 3/20 | 0.38 |
| ▸ | CTSG | P08311 | 3/20 | 0.38 |
| ▸ | CTRB1 | P17538 | 3/20 | 0.38 |
| ▸ | CMA1 | P23946 | 3/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | RRM1 | P23921 | 2/20 | 0.33 |
| ▸ | RRM2 | P31350 | 2/20 | 0.33 |
| ▸ | RRM2B | Q7LG56 | 2/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CA12 | O43570 | 1/20 | 0.30 |
| ▸ | CA1 | P00915 | 1/20 | 0.30 |
| ▸ | CA2 | P00918 | 1/20 | 0.30 |
| ▸ | MMP1 | P03956 | 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 | |
|---|---|---|---|---|
| SCHEMBL25583790 | 1.00 | CYP2C9 (0.45) | CYP2C9MEN1KMT2APRSS1CTSG | |
| SCHEMBL12824834 | 0.84 | CYP2C9 (0.43) | CYP2C9MEN1KMT2APRSS1CTSG | |
| SCHEMBL13932117 | 0.83 | PRSS1 (0.33) | PRSS1CTSGCTRB1CMA1TSHR | |
| SCHEMBL15959877 | 0.79 | CYP2C9 (0.39) | CYP2C9MEN1KMT2APRSS1CTSG | |
| SCHEMBL14376297 | 0.79 | KDM4E (0.35) | PRSS1CTSGCTRB1CMA1TSHR | |
| SCHEMBL12086289 | 0.79 | KDM4E (0.35) | PRSS1CTSGCTRB1CMA1TSHR | |
| SCHEMBL15959886 | 0.78 | PRSS1 (0.43) | CYP2C9MEN1KMT2APRSS1CTSG | |
| SCHEMBL12404657 | 0.77 | CNR2 (0.39) | CYP2C9PRSS1CTSGCTRB1CMA1 | |
| SCHEMBL5207103 | 0.77 | TSHR (0.33) | PRSS1CTSGCTRB1CMA1TSHR | |
| SCHEMBL26460301 | 0.76 | CYP2C9 (0.48) | CYP2C9MEN1KMT2APRSS1CTSG |
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 |