Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 7/20 | 0.53 |
| ▸ | NPC1 | O15118 | 6/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.51 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | ACACB | O00763 | 5/20 | 0.47 |
| ▸ | ACACA | Q13085 | 4/20 | 0.47 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.45 |
| ▸ | HPGD | P15428 | 2/20 | 0.45 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 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 | 0.93 | NPC1 (0.61) | RAB9ANPC1SMN1; SMN2HSD17B10CYP2D6 | |
| SCHEMBL9160256 | 0.90 | NPC1 (0.58) | RAB9ANPC1SMN1; SMN2HSD17B10CYP2D6 | |
| SCHEMBL9161032 | 0.89 | NPC1 (0.56) | RAB9ANPC1SMN1; SMN2HSD17B10CYP2D6 | |
| SCHEMBL9766671 | 0.89 | RAB9A (0.50) | RAB9ANPC1SMN1; SMN2HSD17B10CYP2D6 | |
| SCHEMBL9155808 | 0.86 | NQO1 (0.52) | RAB9ANPC1SMN1; SMN2HSD17B10MAPT | |
| SCHEMBL14222267 | 0.85 | CHRNB2 (0.48) | — | |
| SCHEMBL9152649 | 0.81 | CYP3A4 (0.63) | RAB9ANPC1SMN1; SMN2HSD17B10CYP2D6 | |
| SCHEMBL17108413 | 0.81 | CYP3A4 (0.63) | RAB9ANPC1SMN1; SMN2HSD17B10CYP2D6 | |
| SCHEMBL6836988 | 0.81 | CYP3A4 (0.63) | RAB9ANPC1SMN1; SMN2HSD17B10CYP2D6 | |
| SCHEMBL9154082 | 0.80 | FFAR1 (0.48) | RAB9ANPC1SMN1; SMN2HSD17B10ACACB |
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 |