Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.53 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.53 |
| ▸ | AHR | P35869 | 4/20 | 0.44 |
| ▸ | ABCG2 | Q9UNQ0 | 3/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.44 |
| ▸ | PAX8 | Q06710 | 2/20 | 0.44 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.44 |
| ▸ | FYN | P06241 | 1/20 | 0.44 |
| ▸ | MAPK3 | P27361 | 1/20 | 0.44 |
| ▸ | HNF4A | P41235 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | GLA | P06280 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL11914250 | 0.85 | L3MBTL1 (0.54) | TDP1L3MBTL1AHRABCG2CYP1A2 | |
| SCHEMBL13789696 | 0.83 | L3MBTL1 (0.52) | TDP1L3MBTL1AHRABCG2CYP1A2 | |
| SCHEMBL9779216 | 0.81 | TDP1 (0.63) | TDP1L3MBTL1AHRABCG2CYP1A2 | |
| SCHEMBL29467234 | 0.81 | TDP1 (0.63) | TDP1L3MBTL1AHRABCG2CYP1A2 | |
| SCHEMBL9065424 | 0.80 | KDM4E (0.55) | L3MBTL1AHRHSD17B10ALDH1A1KDM4E | |
| SCHEMBL21019890 | 0.79 | TDP1 (0.61) | TDP1L3MBTL1AHRABCG2CYP1A2 | |
| SCHEMBL31705606 | 0.78 | L3MBTL1 (0.56) | TDP1L3MBTL1AHRABCG2CYP1A2 | |
| SCHEMBL15945902 | 0.78 | L3MBTL1 (0.56) | TDP1L3MBTL1AHRABCG2CYP1A2 | |
| SCHEMBL30091394 | 0.78 | TDP1 (0.55) | TDP1L3MBTL1AHRABCG2CYP1A2 | |
| SCHEMBL415466 | 0.78 | TDP1 (0.55) | TDP1L3MBTL1AHRABCG2CYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2016096069-A1 | COMPOUNDS FOR ELECTRONIC DEVICES | MERCK PATENT GMBH (DE) | 2016-06-23 | — | — | WO | disclosed |