Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDGFRB | P09619 | 1/20 | 0.33 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.33 |
| ▸ | ACACB | O00763 | 1/20 | 0.33 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.33 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.32 |
| ▸ | DHODH | Q02127 | 3/20 | 0.31 |
| ▸ | GRIN2B | Q13224 | 6/20 | 0.31 |
| ▸ | RXRA | P19793 | 5/20 | 0.31 |
| ▸ | GRIN1 | Q05586 | 5/20 | 0.31 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.31 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.31 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL8378334 | 1.00 | PDGFRB (0.33) | PDGFRBPDGFRAACACBHDAC4CYP17A1 | |
| SCHEMBL9312598 | 1.00 | PDGFRB (0.33) | PDGFRBPDGFRAACACBHDAC4CYP17A1 | |
| SCHEMBL8034773 | 0.96 | ACACB (0.32) | PDGFRBPDGFRAACACBHDAC4CYP17A1 | |
| SCHEMBL8383601 | 0.89 | S1PR1 (0.36) | CYP11B2DHODHS1PR1S1PR3GRM2 | |
| SCHEMBL9312273 | 0.89 | S1PR1 (0.36) | CYP11B2DHODHS1PR1S1PR3GRM2 | |
| SCHEMBL8383609 | 0.89 | S1PR1 (0.36) | CYP11B2DHODHS1PR1S1PR3GRM2 | |
| SCHEMBL8382748 | 0.89 | CYP11B1 (0.34) | ACACBHDAC4CYP11B2DHODHGRIN2B | |
| SCHEMBL9313247 | 0.89 | CYP11B1 (0.34) | ACACBHDAC4CYP11B2DHODHGRIN2B | |
| SCHEMBL8382750 | 0.89 | CYP11B1 (0.34) | ACACBHDAC4CYP11B2DHODHGRIN2B | |
| SCHEMBL9312803 | 0.86 | ACACB (0.34) | PDGFRBPDGFRAACACBHDAC4CYP11B2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0475273-B1 | Liquid crystal mixture containing halogenated alcenyl compounds | MERCK PATENT GMBH (DE) | 1999-04-07 | — | — | EP | disclosed |
| EP-0475273-A1 | Halogenated alcenyl compounds | F. HOFFMANN-LA ROCHE AG (CH) | 1992-03-18 | — | — | EP | disclosed |