Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 3/20 | 0.50 |
| ▸ | NPC1 | O15118 | 2/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 6/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.49 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.49 |
| ▸ | RARB | P10826 | 3/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | NR5A1 | Q13285 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL9161032 | 0.93 | NPC1 (0.56) | RAB9ANPC1SMN1; SMN2HSD17B10CYP2D6 | |
| SCHEMBL9160256 | 0.92 | NPC1 (0.58) | RAB9ANPC1SMN1; SMN2HSD17B10CYP2D6 | |
| SCHEMBL17109938 | 0.89 | NPC1 (0.61) | RAB9ANPC1SMN1; SMN2HSD17B10CYP2D6 | |
| SCHEMBL9160187 | 0.89 | RAB9A (0.53) | RAB9ANPC1SMN1; SMN2HSD17B10CYP2D6 | |
| SCHEMBL9155808 | 0.85 | NQO1 (0.52) | RAB9ANPC1SMN1; SMN2HSD17B10KDM4E | |
| SCHEMBL9874416 | 0.83 | KDM4E (0.45) | RAB9ANPC1SMN1; SMN2HSD17B10KDM4E | |
| SCHEMBL9766667 | 0.82 | CYP2D6 (0.50) | RAB9ANPC1SMN1; SMN2HSD17B10CYP2D6 | |
| SCHEMBL15740713 | 0.81 | NR5A1 (0.53) | RAB9ANPC1SMN1; SMN2HSD17B10NR5A1 | |
| SCHEMBL8774126 | 0.80 | NPC1 (0.58) | RAB9ANPC1SMN1; SMN2HSD17B10CYP2D6 | |
| SCHEMBL9766637 | 0.80 | RAB9A (0.52) | RAB9ANPC1SMN1; SMN2HSD17B10CYP3A4 |
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-0445248-A1 | PYRIDINE DERIVATIVES. | MERCK PATENT GMBH (DE) | 1991-09-11 | — | — | EP | disclosed |