Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.47 |
| ▸ | HPGD | P15428 | 3/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 8/20 | 0.42 |
| ▸ | CYP19A1 | P11511 | 7/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 6/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 6/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RARB | P10826 | 5/20 | 0.40 |
| ▸ | NR5A1 | Q13285 | 1/20 | 0.40 |
| ▸ | RARA | P10276 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL9140257 | 0.93 | KDM4E (0.53) | ALDH1A1KDM4EHPGDL3MBTL1HTT | |
| SCHEMBL9138896 | 0.93 | KDM4E (0.53) | ALDH1A1KDM4EHPGDL3MBTL1HTT | |
| SCHEMBL6863382 | 0.93 | KDM4E (0.53) | ALDH1A1KDM4EHPGDL3MBTL1HTT | |
| SCHEMBL8504280 | 0.91 | KDM4E (0.52) | ALDH1A1KDM4EHPGDL3MBTL1HTT | |
| SCHEMBL8506788 | 0.83 | KDM4E (0.43) | ALDH1A1KDM4EHPGDL3MBTL1HTT | |
| SCHEMBL8038453 | 0.81 | HRH3 (0.47) | ALDH1A1KDM4EHPGDL3MBTL1HTT | |
| SCHEMBL6651455 | 0.81 | NPC1 (0.49) | ALDH1A1KDM4EHPGDL3MBTL1HTT | |
| SCHEMBL8026681 | 0.81 | NPC1 (0.49) | ALDH1A1KDM4EHPGDL3MBTL1HTT | |
| SCHEMBL8506313 | 0.80 | KDM4E (0.53) | ALDH1A1KDM4EHPGDL3MBTL1HTT | |
| SCHEMBL8036654 | 0.79 | KDM4E (0.42) | ALDH1A1KDM4EHPGDL3MBTL1HTT |
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 |
|---|---|---|---|---|---|---|---|
| EP-0513262-B1 | 3,6-DISUBSTITUTED 2-FLUOROPYRIDINES | MERCK PATENT GMBH (DE) | 2000-04-05 | — | — | EP | disclosed |
| US-5389291-A | Components of liquid crystalline media | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1995-02-14 | — | — | US | disclosed |
| EP-0513262-A1 | 3,6-DISUBSTITUTED 2-HALOPYRIDINES | MERCK PATENT GmbH (DE) | 1992-11-19 | — | — | EP | disclosed |
| WO-1992009576-A1 | 3,6-DISUBSTITUTED 2-HALOPYRIDINES | MERCK Patent Gesellschaft mit beschränkter Haftung (DE) | 1992-06-11 | — | — | WO | disclosed |