Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.32 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.32 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.32 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.32 |
| ▸ | IDO1 | P14902 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | FASN | P49327 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | DRD2 | P14416 | 1/20 | 0.30 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9158483 | 1.00 | CYP2C9 (0.41) | CYP2C9ALDH1A1MAPTLMNAMEN1 | |
| SCHEMBL9766658 | 0.95 | CYP2C9 (0.38) | CYP2C9ALDH1A1MAPTLMNAMEN1 | |
| SCHEMBL9766653 | 0.95 | CYP2C9 (0.38) | CYP2C9ALDH1A1MAPTLMNAMEN1 | |
| SCHEMBL9153725 | 0.93 | MEN1 (0.35) | CYP2C9ALDH1A1MAPTLMNAMEN1 | |
| SCHEMBL9153733 | 0.93 | MEN1 (0.35) | CYP2C9ALDH1A1MAPTLMNAMEN1 | |
| SCHEMBL9158646 | 0.92 | MAPT (0.37) | CYP2C9ALDH1A1MAPTLMNAMEN1 | |
| SCHEMBL9158643 | 0.92 | MAPT (0.37) | CYP2C9ALDH1A1MAPTLMNAMEN1 | |
| SCHEMBL9156400 | 0.91 | MAPT (0.39) | CYP2C9ALDH1A1MAPTLMNAMEN1 | |
| SCHEMBL9156409 | 0.91 | MAPT (0.39) | CYP2C9ALDH1A1MAPTLMNAMEN1 | |
| SCHEMBL9160322 | 0.90 | TRPV3 (0.34) | S1PR4S1PR1S1PR5IDO1FASN |
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-0445248-B1 | PYRIDINE DERIVATIVES | MERCK PATENT GMBH (DE) | 1995-03-08 | — | — | EP | disclosed |
| US-5205962-A | Stable liquid crystals | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1993-04-27 | — | — | US | disclosed |
| WO-1991004248-A1 | PYRIDINE DERIVATIVES | MERCK Patent Gesellschaft mit beschränkter Haftung (DE) | 1991-04-04 | — | — | WO | disclosed |