Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 7/20 | 0.44 |
| ▸ | ESR2 | Q92731 | 6/20 | 0.44 |
| ▸ | HPRT1 | P00492 | 1/20 | 0.43 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.43 |
| ▸ | MAOA | P21397 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 3/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 4/20 | 0.41 |
| ▸ | RAB9A | P51151 | 4/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 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 | |
|---|---|---|---|---|
| SCHEMBL20080970 | 1.00 | ESR1 (0.44) | ESR1ESR2HPRT1CYP1A1CYP1A2 | |
| SCHEMBL15004433 | 0.96 | ESR1 (0.44) | ESR1ESR2HPRT1CYP1A1CYP1A2 | |
| SCHEMBL29750738 | 0.96 | ESR1 (0.44) | ESR1ESR2HPRT1CYP1A1CYP1A2 | |
| SCHEMBL30548766 | 0.96 | ESR1 (0.44) | ESR1ESR2HPRT1CYP1A1CYP1A2 | |
| SCHEMBL14993704 | 0.96 | ESR1 (0.47) | ESR1ESR2HPRT1CYP1A1CYP1A2 | |
| SCHEMBL15004492 | 0.94 | HPRT1 (0.48) | ESR1ESR2HPRT1CYP1A1CYP1A2 | |
| SCHEMBL29396923 | 0.92 | HPRT1 (0.46) | ESR1ESR2HPRT1CYP1A1CYP1A2 | |
| SCHEMBL15004489 | 0.92 | HPRT1 (0.46) | ESR1ESR2HPRT1CYP1A1CYP1A2 | |
| SCHEMBL15004333 | 0.92 | HPRT1 (0.46) | ESR1ESR2HPRT1CYP1A1CYP1A2 | |
| SCHEMBL23607625 | 0.91 | ESR1 (0.41) | ESR1ESR2HPRT1CYP1A1CYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-107978683-B | Organic semiconductor material comprising an n-type electrical dopant and an electron transporting host and electronic device comprising the semiconductor material | 诺瓦尔德股份有限公司 | 2022-09-06 | — | — | CN | disclosed |
| CN-107978685-B | Organic electroluminescent device comprising a redox-doped electron transport layer and an auxiliary electron transport layer | 诺瓦尔德股份有限公司 | 2022-06-14 | — | — | CN | disclosed |