Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACACB | O00763 | 1/20 | 0.49 |
| ▸ | ACACA | Q13085 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.47 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | RARB | P10826 | 3/20 | 0.46 |
| ▸ | LTA4H | P09960 | 1/20 | 0.46 |
| ▸ | ENPP3 | O14638 | 1/20 | 0.44 |
| ▸ | ENPP1 | P22413 | 1/20 | 0.44 |
| ▸ | AR | P10275 | 1/20 | 0.43 |
| ▸ | NR5A1 | Q13285 | 1/20 | 0.43 |
| ▸ | PLA2G10 | O15496 | 1/20 | 0.43 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.43 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.43 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.43 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.43 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.43 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL9082931 | 0.90 | KDM4E (0.46) | ACACBACACACYP2D6CYP19A1CYP2C9 | |
| SCHEMBL9082168 | 0.89 | KDM4E (0.46) | ACACBACACACYP2D6CYP19A1CYP2C9 | |
| SCHEMBL6944139 | 0.88 | SOAT1 (0.41) | ACACBACACACYP3A4CYP2D6RARB | |
| SCHEMBL8970306 | 0.86 | CYP2D6 (0.56) | ACACBCYP3A4CYP2D6CYP19A1CYP2C9 | |
| SCHEMBL9083779 | 0.83 | KDM4E (0.50) | CYP2D6CYP19A1CYP2C9CYP2C19RARB | |
| SCHEMBL8651956 | 0.83 | MAPT (0.47) | CYP3A4RARBMEN1KMT2A | |
| SCHEMBL9082420 | 0.83 | KDM4E (0.49) | CYP2D6CYP19A1CYP2C9CYP2C19ENPP3 | |
| SCHEMBL8972203 | 0.82 | LTA4H (0.58) | CYP3A4CYP2D6CYP19A1CYP2C9CYP2C19 | |
| SCHEMBL15923575 | 0.82 | LTA4H (0.66) | CYP2C19LTA4HARNR5A1CHRNB2 | |
| SCHEMBL27974031 | 0.82 | LTA4H (0.66) | CYP2C19LTA4HARNR5A1CHRNB2 |
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-0445257-B1 | PYRIDINE DERIVATIVES AND A LIQUID CRYSTAL MEDIUM | MERCK PATENT GMBH (DE) | 1996-03-13 | — | — | EP | disclosed |