Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 1/20 | 0.44 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.43 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.43 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | AR | P10275 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | PPARG | P37231 | 1/20 | 0.37 |
| ▸ | NCOA2 | Q15596 | 1/20 | 0.37 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.37 |
| ▸ | NCOA3 | Q9Y6Q9 | 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 | |
|---|---|---|---|---|
| SCHEMBL27930441 | 0.85 | ESR2 (0.47) | ESR2TSHRARALDH1A1KDM4E | |
| SCHEMBL28073082 | 0.84 | LRRK2 (0.40) | ESR2ADORA2AADORA1LRRK2TSHR | |
| SCHEMBL27693511 | 0.83 | ESR2 (0.48) | ESR2ADORA2AADORA1LRRK2TSHR | |
| SCHEMBL28367275 | 0.82 | ALDH1A1 (0.57) | ADORA2AADORA1ALDH1A1CYP2A6 | |
| SCHEMBL17940720 | 0.81 | AR (0.42) | ESR2LRRK2TSHRARALDH1A1 | |
| SCHEMBL7689092 | 0.81 | POLB (0.49) | ESR2ADORA2AADORA1TSHRAR | |
| SCHEMBL29642877 | 0.81 | AR (0.42) | ESR2LRRK2TSHRARALDH1A1 | |
| SCHEMBL29799042 | 0.81 | ESR2 (0.66) | ESR2ADORA2AADORA1LRRK2TSHR | |
| SCHEMBL27963955 | 0.81 | ESR2 (0.66) | ESR2ADORA2AADORA1LRRK2TSHR | |
| SCHEMBL313 | 0.81 | ESR2 (0.66) | ESR2ADORA2AADORA1LRRK2TSHR |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113228318-A | Thermoelectric conversion material and thermoelectric conversion element using same | 东洋油墨SC控股株式会社 | 2021-08-06 | — | — | CN | disclosed |
| EP-0245053-B1 | HETEROCYCLIC FUSED TRICYCLIC COMPOUNDS | ICI AMERICAS INC. (US) | 1992-11-25 | — | — | EP | disclosed |
| US-5118688-A | TETRAHYDROPYRIDOQUINOLONE DERIVATIVES USEFUL AS ANXIOLYTIC AGENTS | ICI AMERICAS INC. (US) | 1992-06-02 | — | — | US | disclosed |
| US-4975435-A | Certain 1H-pyrrold[3,4-b]quinolin-1-one-9-amino-2,3-dihydro derivatives useful for treating anxiety | ICI AMERICAS INC. (US) | 1990-12-04 | — | — | US | disclosed |
| EP-0245053-A1 | Heterocyclic fused tricyclic compounds | ICI AMERICAS INC. (US) | 1987-11-11 | — | — | EP | disclosed |