Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.43 |
| ▸ | NPC1 | O15118 | 3/20 | 0.43 |
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | MAOA | P21397 | 1/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.43 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.43 |
| ▸ | HTR2B | P41595 | 2/20 | 0.38 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.38 |
| ▸ | HTR1A | P08908 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL2317591 | 0.91 | CYP3A4 (0.43) | KDM4ENPC1MAPTRAB9ASMN1; SMN2 | |
| SCHEMBL2316423 | 0.87 | BACE1 (0.38) | SMN1; SMN2HPGD | |
| SCHEMBL14469715 | 0.86 | HTR2B (0.34) | KDM4ENPC1MAPTRAB9ASMN1; SMN2 | |
| SCHEMBL2316362 | 0.84 | HTR1A (0.34) | KDM4EMAPTSMN1; SMN2LMNACYP1A2 | |
| SCHEMBL2319041 | 0.83 | CYP3A4 (0.35) | KDM4ENPC1MAPTRAB9ASMN1; SMN2 | |
| SCHEMBL2322133 | 0.83 | ALDH1A1 (0.39) | KDM4EALDH1A1GAAHPGDCYP19A1 | |
| SCHEMBL2314396 | 0.83 | MAPT (0.34) | KDM4EMAPTCYP1A2CYP3A4ALDH1A1 | |
| SCHEMBL7031541 | 0.83 | HTR2B (0.42) | KDM4ENPC1MAPTRAB9ASMN1; SMN2 | |
| SCHEMBL2314339 | 0.82 | PARP1 (0.38) | KDM4ENPC1MAPTRAB9ASMN1; SMN2 | |
| SCHEMBL2320678 | 0.81 | MEN1 (0.33) | NPC1RAB9AHPGDMTNR1AKMT2A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1609786-B1 | 5-alkenone-3,3-dimethyl-benzoxepines derivatives useful for the preparation of antidiabetic pentadienoic acids | MERCK SANTE SAS (FR) | 2011-08-03 | — | — | EP | claimed |