Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 7/20 | 0.51 |
| ▸ | RAB9A | P51151 | 7/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.51 |
| ▸ | MAPT | P10636 | 3/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 9/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 9/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 9/20 | 0.41 |
| ▸ | CYP19A1 | P11511 | 9/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL9514517 | 0.97 | RAB9A (0.49) | NPC1RAB9ASMN1; SMN2KDM4EHSD17B10 | |
| SCHEMBL9513691 | 0.96 | RAB9A (0.48) | NPC1RAB9ASMN1; SMN2KDM4EHSD17B10 | |
| SCHEMBL9511782 | 0.96 | RAB9A (0.48) | NPC1RAB9ASMN1; SMN2KDM4EHSD17B10 | |
| SCHEMBL9511721 | 0.95 | NPC1 (0.45) | NPC1RAB9ASMN1; SMN2KDM4EHSD17B10 | |
| SCHEMBL9513800 | 0.88 | RARB (0.44) | NPC1RAB9ASMN1; SMN2KDM4EHSD17B10 | |
| SCHEMBL9514534 | 0.86 | RARB (0.49) | NPC1RAB9ASMN1; SMN2KDM4EHSD17B10 | |
| SCHEMBL9513298 | 0.85 | RARB (0.51) | NPC1RAB9ASMN1; SMN2KDM4EHSD17B10 | |
| SCHEMBL9515476 | 0.85 | RARB (0.51) | NPC1RAB9ASMN1; SMN2KDM4EHSD17B10 | |
| SCHEMBL9515399 | 0.85 | CLK4 (0.44) | NPC1RAB9ASMN1; SMN2KDM4EHSD17B10 | |
| SCHEMBL9513845 | 0.85 | RAB9A (0.39) | NPC1RAB9ASMN1; SMN2KDM4EHSD17B10 |
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-0387315-B1 | FLUORINATED ALKOXYL COMPOUNDS | MERCK PATENT GMBH (DE) | 1993-12-08 | — | — | EP | disclosed |