Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR1 | P32246 | 2/20 | 0.35 |
| ▸ | CCR5 | P51681 | 2/20 | 0.35 |
| ▸ | CCR8 | P51685 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 5/20 | 0.34 |
| ▸ | MAPT | P10636 | 5/20 | 0.34 |
| ▸ | RAB9A | P51151 | 5/20 | 0.34 |
| ▸ | PKM | P14618 | 3/20 | 0.34 |
| ▸ | TP53 | P04637 | 3/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | GRM5 | P41594 | 4/20 | 0.34 |
| ▸ | PARP16 | Q8N5Y8 | 2/20 | 0.33 |
| ▸ | PARP3 | Q9Y6F1 | 2/20 | 0.33 |
| ▸ | KLF5 | Q13887 | 1/20 | 0.33 |
| ▸ | NTRK1 | P04629 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8315666 | 0.90 | NTRK1 (0.35) | CCR1CCR5CCR8NPC1MAPT | |
| SCHEMBL8312863 | 0.86 | MAPT (0.39) | CCR1CCR5CCR8NPC1MAPT | |
| SCHEMBL8311427 | 0.85 | SCN9A (0.35) | CCR1CCR5CCR8RAB9AMAPK1 | |
| SCHEMBL8316488 | 0.82 | PDE10A (0.40) | NPC1MAPTRAB9APKMTP53 | |
| SCHEMBL8875966 | 0.82 | NPY5R (0.34) | CCR1CCR5CCR8SMN1; SMN2KMT2A | |
| SCHEMBL8316184 | 0.82 | KDM4E (0.37) | CCR1CCR5CCR8NPC1MAPT | |
| SCHEMBL8315486 | 0.82 | NPC1 (0.39) | NPC1MAPTRAB9APKMTP53 | |
| SCHEMBL8313795 | 0.81 | CCR1 (0.38) | CCR1CCR5CCR8NPC1MAPT | |
| SCHEMBL8313734 | 0.81 | GRM5 (0.36) | CCR1CCR5CCR8NPC1MAPT | |
| SCHEMBL8314584 | 0.81 | FABP6 (0.37) | MAPTRAB9AGRM5METAP1NPY5R |
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-0626954-B1 | BENZOCYCLOHEPTENES, BENZOXEPINES AND BENZOTHIEPINES | MERCK PATENT GMBH (DE) | 1999-03-17 | — | — | EP | disclosed |
| US-5602152-A | POTASSIUM CHANNEL MODULATOR | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1997-02-11 | — | — | US | disclosed |
| WO-1994013658-A2 | BENZOCYCLOHEPTENES, BENZOXEPINES AND BENZOTHIEPINES | MERCK PATENT GMBH (DE) | 1994-06-23 | — | — | WO | disclosed |