Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | PPARG | P37231 | 1/20 | 0.32 |
| ▸ | PPARA | Q07869 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL726736 | 0.81 | TDP1 (0.41) | ALDH1A1 | |
| SCHEMBL18920686 | 0.74 | ALDH1A1 (0.37) | ALDH1A1 | |
| Acrylic Acid SCHEMBL4400635 | 0.69 | THRB (0.35) | ALDH1A1PPARGPPARARAB9A | |
| SCHEMBL7227399 | 0.69 | IDO1 (0.38) | — | |
| SCHEMBL7235653 | 0.69 | IDO1 (0.38) | — | |
| SCHEMBL6843632 | 0.69 | FUT7 (0.39) | PPARGPPARA | |
| SCHEMBL2780633 | 0.67 | ADRA2A (0.43) | ALDH1A1RAB9A | |
| SCHEMBL9587807 | 0.67 | TDP1 (0.39) | — | |
| SCHEMBL11218368 | 0.66 | ACHE (0.45) | ALDH1A1 | |
| SCHEMBL9488060 | 0.66 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1099692-B1 | N,N-SUBSTITUTED CYCLIC AMINE DERIVATIVES | EISAI CO LTD (JP) | 2006-05-03 | — | — | EP | disclosed |
| US-6737425-B1 | SUCH AS 1-((4-CYANO-5-METHYL-4-PHENYL)HEXYL)-4-(2-(4-FLUORO -PHENOXY)ETHYL)PIPERAZINE; NERVE SELECTIVE CALCIUM ANTAGONISTS | EISAI CO., LTD. (JP) | 2004-05-18 | — | — | US | disclosed |
| CN-1310709-A | N, N-substituted cyclic amine derivatives | EISAI CO LTD (JP) | 2001-08-29 | — | — | CN | disclosed |
| EP-1099692-A1 | N,N-SUBSTITUTED CYCLIC AMINE DERIVATIVES | Eisai Co., Ltd. (JP) | 2001-05-16 | — | — | EP | disclosed |