Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOTUM | Q6P988 | 2/20 | 0.45 |
| ▸ | RIPK1 | Q13546 | 2/20 | 0.41 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.40 |
| ▸ | MDM2 | Q00987 | 10/20 | 0.37 |
| ▸ | MDM4 | O15151 | 8/20 | 0.37 |
| ▸ | WNT3A | P56704 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.35 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL17365310 | 0.86 | RIPK1 (0.46) | NOTUMRIPK1PDE4BMDM2MDM4 | |
| SCHEMBL17563304 | 0.86 | NOTUM (0.51) | NOTUMRIPK1PDE4BMDM2WNT3A | |
| SCHEMBL15930179 | 0.86 | RIPK1 (0.48) | NOTUMRIPK1PDE4BMDM2MDM4 | |
| SCHEMBL18945160 | 0.76 | NOTUM (0.48) | NOTUMRIPK1PDE4BMDM2MDM4 | |
| SCHEMBL15930148 | 0.76 | SCN9A (0.43) | NOTUMRIPK1MDM2LMNAHDAC9 | |
| SCHEMBL15930147 | 0.76 | NOTUM (0.47) | NOTUMRIPK1HDAC9NPSR1 | |
| SCHEMBL15930146 | 0.76 | NOTUM (0.44) | NOTUMRIPK1MDM2LMNA | |
| SCHEMBL15933281 | 0.75 | NPSR1 (0.52) | NOTUMRIPK1PDE4BMDM2WNT3A | |
| SCHEMBL20209694 | 0.75 | RIPK1 (0.45) | NOTUMRIPK1PDE4BMDM2MDM4 | |
| SCHEMBL15930151 | 0.75 | NOTUM (0.41) | NOTUMRIPK1MDM2MDM4 |
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 |
|---|---|---|---|---|---|---|---|
| US-9221818-B2 | Macrocycles as factor XIa inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2015-12-29 | — | — | US | disclosed |