Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 4/20 | 0.47 |
| ▸ | TSHR | P16473 | 4/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.47 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.45 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.45 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.45 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.45 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.45 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.45 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | CHAT | P28329 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 4/20 | 0.37 |
| ▸ | ERN1 | O75460 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 3/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL25464150 | 0.82 | CYP2A6 (0.47) | CYP2A6TSHRCYP1A2GRIN2DGRIN3B | |
| SCHEMBL16784687 | 0.81 | CYP2A6 (0.54) | CYP2A6TSHRCYP1A2GRIN2DGRIN3B | |
| SCHEMBL22107896 | 0.79 | CYP2A6 (0.52) | CYP2A6TSHRCYP1A2GRIN2DGRIN3B | |
| SCHEMBL512629 | 0.78 | CYP2A6 (0.50) | CYP2A6TSHRCYP1A2GRIN2DGRIN3B | |
| SCHEMBL299445 | 0.78 | CYP2A6 (0.50) | CYP2A6TSHRCYP1A2GRIN2DGRIN3B | |
| SCHEMBL8012260 | 0.77 | CYP2A6 (0.58) | CYP2A6TSHRCYP1A2GRIN2DGRIN3B | |
| SCHEMBL9442847 | 0.76 | CYP2A6 (0.48) | CYP2A6TSHRCYP1A2GRIN2DGRIN3B | |
| SCHEMBL16327005 | 0.75 | CYP2A6 (0.47) | CYP2A6TSHRCYP1A2ALDH1A1CHAT | |
| SCHEMBL821212 | 0.75 | TSHR (0.56) | CYP2A6TSHRCYP1A2GRIN2DGRIN3B | |
| SCHEMBL17410854 | 0.74 | CYP2A6 (0.36) | CYP2A6TSHRCYP1A2ALDH1A1ATM |
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 |
|---|---|---|---|---|---|---|---|
| US-10651388-B2 | Compositions comprising at least one polymer and at least one metal complex and to electroluminescent devices containing said compositions | MERCK PATENT GMBH (DE) | 2020-05-12 | — | — | US | disclosed |
| US-20170365786-A1 | COMPOSITIONS COMPRISING AT LEAST ONE POLYMER AND AT LEAST ONE METAL COMPLEX AND TO ELECTROLUMINESCENT DEVICES CONTAINING SAID COMPOSITIONS | MERCK PATENT GMBH (DE) | 2017-12-21 | — | — | US | disclosed |