Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO1 | P15559 | 1/20 | 0.48 |
| ▸ | CA12 | O43570 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.47 |
| ▸ | CA7 | P43166 | 1/20 | 0.47 |
| ▸ | CA9 | Q16790 | 1/20 | 0.47 |
| ▸ | PPARG | P37231 | 1/20 | 0.47 |
| ▸ | PPARA | Q07869 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | ACACB | O00763 | 3/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | CNR2 | P34972 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | SLC5A1 | P13866 | 1/20 | 0.42 |
| ▸ | SLC5A2 | P31639 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 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 | |
|---|---|---|---|---|
| SCHEMBL6616437 | 0.90 | NQO1 (0.45) | NQO1CA12CA1CA2CA7 | |
| SCHEMBL3258334 | 0.85 | CA2 (0.50) | CA12CA1CA2CA9PPARG | |
| SCHEMBL8498063 | 0.84 | NPC1 (0.54) | CA12CA1CA2CA7CA9 | |
| SCHEMBL21901713 | 0.84 | PPARA (0.49) | CA12CA1CA2CA7CA9 | |
| SCHEMBL24041775 | 0.83 | APLNR (0.50) | CA12CA1CA2CA7CA9 | |
| SCHEMBL24041902 | 0.83 | MAOB (0.48) | CA12CA1CA2CA7CA9 | |
| SCHEMBL24041771 | 0.83 | CA1 (0.53) | CA12CA1CA2CA7CA9 | |
| SCHEMBL6374518 | 0.82 | GAA (0.59) | PPARGPPARAALDH1A1SMN1; SMN2KDM4E | |
| SCHEMBL20743498 | 0.82 | NQO1 (0.52) | NQO1CA12CA1CA2CA7 | |
| SCHEMBL979920 | 0.82 | PPARA (0.49) | CA1CA2CA9PPARGPPARA |
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-0714894-A1 | 3-(1,2,3,6-tetrahydro-(1-alkylenearyl)-4-pyridinyl)- and 3-(1-alkylenearyl)-4-piperidinyl-1h-indoles: new 5-HT1f agonists | ELI LILLY AND COMPANY (US) | 1996-06-05 | — | — | EP | disclosed |
| US-5521197-A | ANALGESICS USING SEROTONIN ANTAGONIST | ELI LILLY AND COMPANY (US) | 1996-05-28 | — | — | US | disclosed |