Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.76 |
| ▸ | L3MBTL1 | Q9Y468 | 6/20 | 0.76 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.76 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.76 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.76 |
| ▸ | TSHR | P16473 | 2/20 | 0.76 |
| ▸ | PSMD14 | O00487 | 1/20 | 0.76 |
| ▸ | RECQL | P46063 | 1/20 | 0.76 |
| ▸ | GFER | P55789 | 1/20 | 0.76 |
| ▸ | S100B | P04271 | 1/20 | 0.58 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.44 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 5/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.43 |
| ▸ | HPGD | P15428 | 3/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.43 |
| ▸ | ESRRG | P62508 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 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 | |
|---|---|---|---|---|
| SCHEMBL8467252 | 0.87 | ALDH1A1 (1.00) | ALDH1A1L3MBTL1CYP3A4TDP1MAPK1 | |
| SCHEMBL33781 | 0.87 | ALDH1A1 (1.00) | ALDH1A1L3MBTL1CYP3A4TDP1MAPK1 | |
| Hydrochloric Acid SCHEMBL970320 | 0.85 | ALDH1A1 (0.95) | ALDH1A1L3MBTL1CYP3A4TDP1MAPK1 | |
| Hydrochloric Acid SCHEMBL970321 | 0.85 | ALDH1A1 (0.95) | ALDH1A1L3MBTL1CYP3A4TDP1MAPK1 | |
| SCHEMBL9405180 | 0.83 | S100B (0.86) | ALDH1A1L3MBTL1CYP3A4TDP1MAPK1 | |
| Hydrochloric Acid SCHEMBL7752117 | 0.83 | ALDH1A1 (0.91) | ALDH1A1L3MBTL1CYP3A4TDP1MAPK1 | |
| Hydrochloric Acid SCHEMBL11220218 | 0.82 | S100B (0.83) | ALDH1A1L3MBTL1CYP3A4TDP1MAPK1 | |
| SCHEMBL2155334 | 0.81 | ALDH1A1 (0.86) | ALDH1A1L3MBTL1CYP3A4TDP1MAPK1 | |
| Potassium Iodide SCHEMBL28933576 | 0.81 | ALDH1A1 (0.86) | ALDH1A1L3MBTL1CYP3A4TDP1MAPK1 | |
| Iodide SCHEMBL5069469 | 0.81 | ALDH1A1 (0.86) | ALDH1A1L3MBTL1CYP3A4TDP1MAPK1 |
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 |