Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.42 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.42 |
| ▸ | GRM1 | Q13255 | 5/20 | 0.41 |
| ▸ | GRM4 | Q14833 | 4/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.39 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.39 |
| ▸ | LCK | P06239 | 1/20 | 0.39 |
| ▸ | FYN | P06241 | 1/20 | 0.39 |
| ▸ | DAO | P14920 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | ANPEP | P15144 | 1/20 | 0.39 |
| ▸ | DPP4 | P27487 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | CASP1 | P29466 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL1548403 | 0.83 | ESR1 (0.54) | ESR1ESR2GRM1GRM4CYP3A4 | |
| SCHEMBL11719744 | 0.80 | NPSR1 (0.58) | ESR1ESR2ANPEPDPP4NPSR1 | |
| SCHEMBL11721574 | 0.80 | NPSR1 (0.54) | ESR1ESR2GRM1GRM4MAPT | |
| SCHEMBL11620225 | 0.79 | ESR1 (0.50) | ESR1ESR2GRM1GRM4CYP3A4 | |
| SCHEMBL5903417 | 0.74 | ESR1 (0.61) | ESR1ESR2GRM1GRM4MEN1 | |
| SCHEMBL11615649 | 0.73 | ALDH1A1 (0.55) | ESR1ESR2GRM1GRM4CYP3A4 | |
| SCHEMBL11721590 | 0.73 | NPSR1 (0.58) | MAPTNPSR1ALDH1A1TSHRMEN1 | |
| SCHEMBL11725924 | 0.73 | ESR1 (0.54) | ESR1ESR2CYP3A4NFKB1PMP22 | |
| SCHEMBL17946146 | 0.71 | ESR1 (0.55) | ESR1ESR2GRM1GRM4MAPT | |
| SCHEMBL11721594 | 0.71 | ALDH1A1 (0.62) | ESR1ESR2GRM1GRM4CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1019720-A1 | COMBINATORIAL PROCESS FOR PREPARING TETRAHYDROQUINOLINE LIBRARIES | ELI LILLY AND COMPANY (US) | 2000-07-19 | — | — | EP | disclosed |
| WO-1998027427-A1 | COMBINATORIAL PROCESS FOR PREPARING TETRAHYDROQUINOLINE LIBRARIES | ELI LILLY AND COMPANY (US) | 1998-06-25 | — | — | WO | disclosed |