Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.69 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.69 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.69 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.67 |
| ▸ | POLB | P06746 | 1/20 | 0.67 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.67 |
| ▸ | MEN1 | O00255 | 4/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.57 |
| ▸ | HTT | P42858 | 2/20 | 0.55 |
| ▸ | NPC1 | O15118 | 1/20 | 0.54 |
| ▸ | GAA | P10253 | 1/20 | 0.54 |
| ▸ | HPGD | P15428 | 1/20 | 0.54 |
| ▸ | TSHR | P16473 | 1/20 | 0.54 |
| ▸ | RAB9A | P51151 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL1930008 | 0.84 | ALDH1A1 (0.69) | ALDH1A1SMN1; SMN2KDM4EL3MBTL1POLB | |
| SCHEMBL5753093 | 0.83 | HTT (0.57) | ALDH1A1SMN1; SMN2KDM4EPOLBMEN1 | |
| SCHEMBL791659 | 0.83 | KMT2A (0.71) | ALDH1A1SMN1; SMN2KDM4EL3MBTL1POLB | |
| SCHEMBL16513500 | 0.83 | ALDH1A1 (0.71) | ALDH1A1SMN1; SMN2KDM4EL3MBTL1POLB | |
| SCHEMBL5752792 | 0.81 | KMT2A (0.61) | ALDH1A1SMN1; SMN2KDM4EPOLBMEN1 | |
| SCHEMBL1928480 | 0.80 | ALDH1A1 (0.63) | ALDH1A1SMN1; SMN2KDM4EL3MBTL1POLB | |
| Hydrochloric Acid SCHEMBL16513642 | 0.80 | KMT2A (0.68) | ALDH1A1SMN1; SMN2KDM4EL3MBTL1POLB | |
| SCHEMBL1333690 | 0.78 | POLB (0.67) | SMN1; SMN2L3MBTL1POLBMEN1KMT2A | |
| SCHEMBL13946459 | 0.77 | SMN1; SMN2 (0.64) | ALDH1A1SMN1; SMN2KDM4EL3MBTL1POLB | |
| SCHEMBL5391758 | 0.77 | ALDH1A1 (0.60) | ALDH1A1SMN1; SMN2KDM4EL3MBTL1POLB |
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 3 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 |
| EP-1099692-A1 | N,N-SUBSTITUTED CYCLIC AMINE DERIVATIVES | Eisai Co., Ltd. (JP) | 2001-05-16 | — | — | EP | disclosed |