Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDCD1 | Q15116 | 3/20 | 0.35 |
| ▸ | CD274 | Q9NZQ7 | 3/20 | 0.35 |
| ▸ | WNT3A | P56704 | 6/20 | 0.35 |
| ▸ | CYP11B1 | P15538 | 5/20 | 0.34 |
| ▸ | CYP11B2 | P19099 | 5/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 2/20 | 0.33 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.31 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.31 |
| ▸ | RELA | Q04206 | 1/20 | 0.31 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.31 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL21289799 | 0.91 | KDM4E (0.34) | PDCD1CD274CYP3A4NPC1RAB9A | |
| SCHEMBL21290205 | 0.90 | LDHA (0.31) | — | |
| SCHEMBL18015374 | 0.90 | ADORA1 (0.36) | ADORA2AADORA1 | |
| SCHEMBL21125469 | 0.88 | ENPP3 (0.35) | ADORA2AADORA1 | |
| SCHEMBL21125944 | 0.87 | HSD17B1 (0.36) | WNT3AADORA2AADORA1 | |
| SCHEMBL21289801 | 0.85 | TGFBR1 (0.30) | — | |
| SCHEMBL18015598 | 0.83 | ADORA1 (0.33) | PDCD1CD274ADORA2AADORA1 | |
| SCHEMBL19794462 | 0.83 | ENPP3 (0.34) | PDCD1CD274ADORA2AADORA1 | |
| SCHEMBL15673151 | 0.82 | ADORA1 (0.34) | PDCD1CD274ADORA2AADORA1 | |
| SCHEMBL22059833 | 0.81 | TGFBR1 (0.35) | NPC1RAB9ASMN1; SMN2TP53 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3752512-B1 | METAL COMPLEXES | MERCK PATENT GMBH (DE) | 2023-03-01 | — | — | EP | disclosed |
| WO-2019158453-A1 | METAL COMPLEXES | MERCK PATENT GMBH (DE) | 2019-08-22 | — | — | WO | disclosed |