Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | CCR1 | P32246 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | PSMB5 | P28074 | 1/20 | 0.33 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.33 |
| ▸ | PLA2G5 | P39877 | 1/20 | 0.33 |
| ▸ | SDCBP | O00560 | 1/20 | 0.33 |
| ▸ | SDC2 | P34741 | 1/20 | 0.33 |
| ▸ | FAAH | O00519 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | EPHX2 | P34913 | 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 | |
|---|---|---|---|---|
| SCHEMBL15996559 | 1.00 | CYP2C9 (0.45) | CYP2C9NPSR1CCR1ALDH1A1MEN1 | |
| SCHEMBL13932943 | 1.00 | CYP2C9 (0.45) | CYP2C9NPSR1CCR1ALDH1A1MEN1 | |
| SCHEMBL13154035 | 0.84 | CYP2C9 (0.43) | CYP2C9NPSR1CCR1ALDH1A1MEN1 | |
| SCHEMBL9917048 | 0.84 | CYP2C9 (0.43) | CYP2C9NPSR1CCR1ALDH1A1MEN1 | |
| SCHEMBL13154043 | 0.84 | CYP2C9 (0.43) | CYP2C9NPSR1CCR1ALDH1A1MEN1 | |
| SCHEMBL16362007 | 0.83 | HDAC3 (0.43) | NPSR1MEN1KMT2ASMN1; SMN2PSMB5 | |
| SCHEMBL12684576 | 0.83 | CYP2C9 (0.42) | CYP2C9NPSR1CCR1ALDH1A1MEN1 | |
| SCHEMBL17613510 | 0.83 | HDAC3 (0.43) | NPSR1MEN1KMT2ASMN1; SMN2PSMB5 | |
| SCHEMBL16362006 | 0.83 | ALDH1A1 (0.44) | CYP2C9CCR1ALDH1A1MEN1KMT2A | |
| SCHEMBL17860258 | 0.82 | CYP2C9 (0.38) | CYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023102507-A1 | MACROCYCLIC IMMUNOMODULATORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2023-06-08 | — | — | WO | disclosed |
| US-10724034-B2 | Genetic encoding of chemical post-translational modification for phage-displayed libraries | 48Hour Discovery Inc. (CA) | 2020-07-28 | — | — | US | disclosed |