Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | ALOX5 | P09917 | 4/20 | 0.37 |
| ▸ | MC4R | P32245 | 3/20 | 0.36 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.35 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.35 |
| ▸ | TACR1 | P25103 | 1/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 5/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 5/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL5753175 | 0.89 | ALOX5 (0.35) | ALDH1A1ALOX5MC4RSMN1; SMN2HTT | |
| SCHEMBL5753653 | 0.89 | MC4R (0.36) | ALDH1A1MC4RMEN1KMT2ASMN1; SMN2 | |
| SCHEMBL5754551 | 0.87 | KDM4E (0.40) | ALDH1A1ALOX5MC4RMEN1LMNA | |
| SCHEMBL5753793 | 0.86 | ALOX5 (0.36) | ALDH1A1ALOX5MC4RLMNASMN1; SMN2 | |
| SCHEMBL5753293 | 0.86 | USP2 (0.41) | ALDH1A1ALOX5MEN1MAPK1KMT2A | |
| SCHEMBL5753614 | 0.85 | HRH1 (0.46) | ALOX5SLC6A4SLC6A3SLC6A2TDP1 | |
| SCHEMBL5753790 | 0.85 | ALDH1A1 (0.35) | ALDH1A1ALOX5MC4RSLC6A3KMT2A | |
| SCHEMBL5755099 | 0.85 | TACR1 (0.44) | MC4RTACR1SLC6A4SLC6A3SLC6A2 | |
| SCHEMBL5751143 | 0.83 | ALDH1A1 (0.38) | ALDH1A1ALOX5MEN1LMNAKMT2A | |
| SCHEMBL2866237 | 0.83 | SLC2A1 (0.43) | ALDH1A1ALOX5SLC6A4MEN1LMNA |
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 |