Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2B | P29275 | 3/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.37 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.37 |
| ▸ | CNR1 | P21554 | 1/20 | 0.37 |
| ▸ | ACHE | P22303 | 1/20 | 0.37 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.37 |
| ▸ | NTSR1 | P30989 | 1/20 | 0.37 |
| ▸ | MC3R | P41968 | 1/20 | 0.37 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.37 |
| ▸ | SIRT3 | Q9NTG7 | 1/20 | 0.37 |
| ▸ | GDA | Q9Y2T3 | 1/20 | 0.37 |
| ▸ | NR2E1 | Q9Y466 | 1/20 | 0.37 |
| ▸ | LGMN | Q99538 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL2199114 | 0.82 | ADORA2A (0.33) | ADORA2BLMNAADORA2AKMT2AALDH1A1 | |
| SCHEMBL2197919 | 0.81 | ADORA2A (0.35) | ADORA2BADORA2AADORA1KMT2AALDH1A1 | |
| SCHEMBL2195281 | 0.80 | ADORA2A (0.37) | ADORA2BADORA2AADORA1KMT2ATSHR | |
| SCHEMBL2195094 | 0.79 | ADORA2A (0.38) | ADORA2BADORA2AADORA3TSHRALDH1A1 | |
| SCHEMBL2193199 | 0.79 | ADORA2A (0.38) | ADORA2BADORA2AADORA3TSHRALDH1A1 | |
| SCHEMBL2196088 | 0.79 | ADORA2A (0.38) | ADORA2BADORA2AADORA3TSHRALDH1A1 | |
| SCHEMBL2193792 | 0.79 | ADORA2A (0.38) | ADORA2BADORA2AADORA3TSHRALDH1A1 | |
| SCHEMBL2194634 | 0.77 | TSHR (0.41) | ADORA2BLMNAKMT2ARXFP1TSHR | |
| SCHEMBL2192321 | 0.77 | — | — | |
| SCHEMBL2196818 | 0.76 | ALDH1A1 (0.40) | ADORA2BLMNAADORA2AKMT2ARXFP1 |
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-8481522-B2 | Platinum-N-heterocyclic carbene derivatives, preparation thereof and therapeutic use thereof | SANOFI (FR) | 2013-07-09 | — | — | US | disclosed |