Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.68 |
| ▸ | NPC1 | O15118 | 3/20 | 0.67 |
| ▸ | TP53 | P04637 | 3/20 | 0.67 |
| ▸ | RAB9A | P51151 | 3/20 | 0.67 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.67 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.65 |
| ▸ | TSHR | P16473 | 1/20 | 0.59 |
| ▸ | HPGD | P15428 | 1/20 | 0.57 |
| ▸ | HTT | P42858 | 1/20 | 0.57 |
| ▸ | FAAH | O00519 | 1/20 | 0.57 |
| ▸ | LMNA | P02545 | 1/20 | 0.56 |
| ▸ | MAPT | P10636 | 1/20 | 0.56 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.56 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.56 |
| ▸ | RELA | Q04206 | 1/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.54 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL7298745 | 0.91 | HPGD (0.69) | KDM4ENPC1TP53RAB9ASMN1; SMN2 | |
| SCHEMBL7313251 | 0.90 | KDM4E (0.77) | KDM4ENPC1TP53RAB9ASMN1; SMN2 | |
| SCHEMBL12513753 | 0.81 | ALDH1A1 (0.74) | KDM4ENPC1TP53RAB9ASMN1; SMN2 | |
| SCHEMBL6631322 | 0.81 | NPC1 (0.67) | KDM4ENPC1TP53RAB9ASMN1; SMN2 | |
| SCHEMBL20067671 | 0.81 | NPC1 (0.67) | KDM4ENPC1TP53RAB9ASMN1; SMN2 | |
| SCHEMBL6210925 | 0.80 | KDM4E (0.71) | KDM4ENPC1TP53RAB9ASMN1; SMN2 | |
| SCHEMBL7096012 | 0.79 | KDM4E (0.69) | KDM4ENPC1TP53RAB9ASMN1; SMN2 | |
| SCHEMBL27812699 | 0.79 | KDM4E (0.74) | KDM4ENPC1TP53RAB9ASMN1; SMN2 | |
| SCHEMBL77309 | 0.79 | MAPT (0.63) | KDM4ENPC1TP53RAB9ASMN1; SMN2 | |
| SCHEMBL20137614 | 0.78 | YAP1 (0.63) | KDM4ESMN1; SMN2ALDH1A1HPGDFAAH |
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-0520336-A2 | Aldehyde derivatives and their use as calpain inhibitors | FUJIREBIO Inc. (JP) | 1992-12-30 | — | — | EP | disclosed |