Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO1 | P15559 | 1/20 | 0.52 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.48 |
| ▸ | XDH | P47989 | 1/20 | 0.46 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.46 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 3/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.45 |
| ▸ | NPC1 | O15118 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL17109938 | 0.86 | NPC1 (0.61) | MAPTNPC1KDM4ERAB9ASMN1; SMN2 | |
| SCHEMBL9160187 | 0.86 | RAB9A (0.53) | PIK3CDMAPTNPC1KDM4ERAB9A | |
| SCHEMBL9766671 | 0.85 | RAB9A (0.50) | MAPTNPC1KDM4ETSHRRAB9A | |
| SCHEMBL30017394 | 0.84 | NQO1 (0.54) | NQO1CHRNA7DGAT1 | |
| SCHEMBL1390547 | 0.84 | NQO1 (0.54) | NQO1CHRNA7DGAT1 | |
| SCHEMBL9160256 | 0.83 | NPC1 (0.58) | NPC1KDM4ERAB9ASMN1; SMN2HSD17B10 | |
| SCHEMBL9161032 | 0.82 | NPC1 (0.56) | NPC1KDM4ETSHRRAB9ASMN1; SMN2 | |
| SCHEMBL1744640 | 0.81 | PIK3CD (0.52) | PIK3CDCYP2A6MAPTNPC1MEN1 | |
| SCHEMBL9155582 | 0.79 | NQO1 (0.82) | NQO1XDHTDP1NPC1MEN1 | |
| SCHEMBL5833291 | 0.79 | NQO1 (0.82) | NQO1XDHTDP1NPC1MEN1 |
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 |