Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | MAOA | P21397 | 1/20 | 0.36 |
| ▸ | KRAS | P01116 | 1/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | TNFRSF1A | P19438 | 1/20 | 0.36 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.36 |
| ▸ | CXCL12 | P48061 | 1/20 | 0.35 |
| ▸ | CTSL | P07711 | 1/20 | 0.35 |
| ▸ | CTSB | P07858 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.35 |
| ▸ | MEN1 | O00255 | 3/20 | 0.34 |
| ▸ | MLYCD | O95822 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | APP | P05067 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL9420136 | 1.00 | CYP1A2 (0.41) | CYP1A2CYP2C19SMN1; SMN2ALDH1A1MAOA | |
| SCHEMBL9301468 | 0.79 | ALDH1A1 (0.41) | CYP1A2CYP2C19ALDH1A1L3MBTL1TNFRSF1A | |
| SCHEMBL9301473 | 0.79 | ALDH1A1 (0.41) | CYP1A2CYP2C19ALDH1A1L3MBTL1TNFRSF1A | |
| SCHEMBL9621919 | 0.73 | CYP1A2 (0.37) | CYP1A2CYP2C19ALDH1A1ATMTNFRSF1A | |
| SCHEMBL9621921 | 0.73 | CYP1A2 (0.37) | CYP1A2CYP2C19ALDH1A1ATMTNFRSF1A | |
| SCHEMBL9301239 | 0.73 | CYP1A2 (0.36) | CYP1A2CYP2C19SMN1; SMN2ALDH1A1CTSL | |
| SCHEMBL9301230 | 0.73 | CYP1A2 (0.36) | CYP1A2CYP2C19SMN1; SMN2ALDH1A1CTSL | |
| SCHEMBL3398978 | 0.72 | HSD11B1 (0.58) | MAOATNFRSF1AEPHX2CTSLKMT2A | |
| SCHEMBL3398985 | 0.72 | HSD11B1 (0.58) | MAOATNFRSF1AEPHX2CTSLKMT2A | |
| SCHEMBL9300976 | 0.72 | CES2 (0.40) | CYP1A2CYP2C19SMN1; SMN2ALDH1A1ATM |
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-0475627-B1 | Optically active esters of 7-substituted 3,5-difunctionalized 6-heptenoic acids | SAGAMI CHEM RES (JP) | 1994-10-19 | — | — | EP | disclosed |
| US-5276154-A | Optically active esters of 7-substituted 3,5-difunctionalized 6-heptenoic acids | SAGAMI CHEMICAL RESEARCH CENTER (JP) | 1994-01-04 | — | — | US | disclosed |
| EP-0475627-A1 | Optically active esters of 7-substituted 3,5-difunctionalized 6-heptenoic acids | SAGAMI CHEMICAL RESEARCH CENTER (JP) | 1992-03-18 | — | — | EP | disclosed |