Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.51 |
| ▸ | RAB9A | P51151 | 2/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.50 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.50 |
| ▸ | RARB | P10826 | 3/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | HPGD | P15428 | 2/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | NR5A1 | Q13285 | 1/20 | 0.46 |
| ▸ | HTR2A | P28223 | 2/20 | 0.43 |
| ▸ | HTR2C | P28335 | 2/20 | 0.43 |
| ▸ | HTR1B | P28222 | 1/20 | 0.43 |
| ▸ | HTR2B | P41595 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL8875742 | 1.00 | NPC1 (0.51) | NPC1RAB9ASMN1; SMN2HSD17B10CYP2D6 | |
| SCHEMBL8774531 | 0.87 | NPC1 (0.52) | NPC1RAB9ASMN1; SMN2HSD17B10CYP2D6 | |
| SCHEMBL8876334 | 0.86 | NPC1 (0.51) | NPC1RAB9ASMN1; SMN2HSD17B10CYP2D6 | |
| SCHEMBL8774768 | 0.86 | NPC1 (0.54) | NPC1RAB9ASMN1; SMN2HSD17B10CYP2D6 | |
| SCHEMBL8112496 | 0.83 | CYP2D6 (0.50) | NPC1RAB9ASMN1; SMN2HSD17B10CYP2D6 | |
| SCHEMBL8112752 | 0.83 | CYP2D6 (0.50) | NPC1RAB9ASMN1; SMN2HSD17B10CYP2D6 | |
| SCHEMBL8774126 | 0.81 | NPC1 (0.58) | NPC1RAB9ASMN1; SMN2HSD17B10CYP2D6 | |
| SCHEMBL9161032 | 0.80 | NPC1 (0.56) | NPC1RAB9ASMN1; SMN2HSD17B10CYP2D6 | |
| SCHEMBL9155028 | 0.78 | RARB (0.71) | NPC1RAB9AHSD17B10CYP2D6CYP3A4 | |
| SCHEMBL7775244 | 0.78 | RARB (0.71) | NPC1RAB9AHSD17B10CYP2D6CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| US-5629428-A | 3-Chloropyridines, and their use in liquid-crystal mixtures | HOECHST AKTIENGESELLSCHAFT (DE) | 1997-05-13 | — | — | US | disclosed |