Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | HPGD | P15428 | 3/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 3/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | CRHBP | P24387 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.34 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.33 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.33 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9301230 | 1.00 | CYP1A2 (0.36) | CYP1A2CYP2C19ALDH1A1HPGDNPC1 | |
| SCHEMBL9301473 | 0.80 | ALDH1A1 (0.41) | CYP1A2CYP2C19ALDH1A1HPGDNPC1 | |
| SCHEMBL9301468 | 0.80 | ALDH1A1 (0.41) | CYP1A2CYP2C19ALDH1A1HPGDNPC1 | |
| SCHEMBL9420136 | 0.73 | CYP1A2 (0.41) | CYP1A2CYP2C19ALDH1A1NPC1SMN1; SMN2 | |
| SCHEMBL9420140 | 0.73 | CYP1A2 (0.41) | CYP1A2CYP2C19ALDH1A1NPC1SMN1; SMN2 | |
| SCHEMBL9621919 | 0.71 | CYP1A2 (0.37) | CYP1A2CYP2C19ALDH1A1HPGDNPC1 | |
| SCHEMBL9621921 | 0.71 | CYP1A2 (0.37) | CYP1A2CYP2C19ALDH1A1HPGDNPC1 | |
| SCHEMBL9420174 | 0.71 | HMGCR (0.48) | CYP2C9 | |
| SCHEMBL9622030 | 0.71 | HMGCR (0.48) | CYP2C9 | |
| SCHEMBL9422202 | 0.71 | HMGCR (0.48) | CYP2C9 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5369109-A | Optically active esters of 7-substituted 3,5-difunctionalized 6-heptenoic acids | SAGAMI CHEMICAL RESEARCH CENTER (JP) | 1994-11-29 | — | — | US | disclosed |
| 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 |