Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 9/20 | 0.56 |
| ▸ | ADORA2A | P29274 | 8/20 | 0.54 |
| ▸ | ADORA1 | P30542 | 5/20 | 0.54 |
| ▸ | TNF | P01375 | 2/20 | 0.51 |
| ▸ | NOD2 | Q9HC29 | 1/20 | 0.51 |
| ▸ | NOD1 | Q9Y239 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | BLM | P54132 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL12165556 | 0.88 | ADORA3 (0.56) | ADORA3ADORA2AADORA1TNFNOD2 | |
| SCHEMBL12165502 | 0.88 | ADORA3 (0.56) | ADORA3ADORA2AADORA1 | |
| SCHEMBL16065954 | 0.87 | ADORA3 (0.55) | ADORA3ADORA2AADORA1MEN1KMT2A | |
| SCHEMBL12165529 | 0.86 | ADORA3 (0.56) | ADORA3ADORA2AADORA1LMNATSHR | |
| SCHEMBL12165501 | 0.86 | ADORA3 (0.54) | ADORA3ADORA2AADORA1 | |
| SCHEMBL12165492 | 0.85 | ADORA2A (0.62) | ADORA3ADORA2AADORA1 | |
| SCHEMBL12655143 | 0.84 | ADORA3 (0.52) | ADORA3ADORA2AADORA1 | |
| SCHEMBL14922233 | 0.84 | ADORA3 (0.52) | ADORA3ADORA2AADORA1 | |
| SCHEMBL16065963 | 0.83 | ADORA2A (0.51) | ADORA3ADORA2AADORA1 | |
| SCHEMBL12188051 | 0.83 | ADORA3 (0.51) | ADORA3ADORA2AADORA1LMNAALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2509983-B1 | FUSED TRICYCLIC COMPOUNDS WITH ADENOSINE A2a RECEPTOR ANTAGONIST ACTIVITY | MERCK SHARP & DOHME (US) | 2014-09-17 | — | — | EP | disclosed |