Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR1 | P32246 | 2/20 | 0.40 |
| ▸ | CCR5 | P51681 | 2/20 | 0.40 |
| ▸ | CCR8 | P51685 | 2/20 | 0.40 |
| ▸ | CBFB | Q13951 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 8/20 | 0.36 |
| ▸ | RAB9A | P51151 | 7/20 | 0.36 |
| ▸ | MAPT | P10636 | 6/20 | 0.36 |
| ▸ | PKM | P14618 | 4/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | GRM5 | P41594 | 3/20 | 0.36 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.34 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.34 |
| ▸ | KLF5 | Q13887 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 4/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL8313795 | 0.83 | CCR1 (0.38) | CCR1CCR5CCR8CBFBNPC1 | |
| SCHEMBL8316296 | 0.81 | CCR1 (0.35) | CCR1CCR5CCR8NPC1RAB9A | |
| SCHEMBL8312863 | 0.80 | MAPT (0.39) | CCR1CCR5CCR8CBFBNPC1 | |
| SCHEMBL8315666 | 0.77 | NTRK1 (0.35) | CCR1CCR5CCR8NPC1RAB9A | |
| SCHEMBL8316184 | 0.76 | KDM4E (0.37) | CCR1CCR5CCR8NPC1RAB9A | |
| SCHEMBL8311427 | 0.73 | SCN9A (0.35) | CCR1CCR5CCR8CBFBRAB9A | |
| SCHEMBL8313611 | 0.73 | NPC1 (0.41) | NPC1RAB9AMAPTPKMALDH1A1 | |
| SCHEMBL8315312 | 0.73 | ABCC9 (0.35) | — | |
| SCHEMBL8315585 | 0.72 | ADRA1A (0.40) | CCR1CCR5CCR8NPC1RAB9A | |
| SCHEMBL8315309 | 0.72 | ADRA1A (0.38) | CCR1CCR5CCR8NPC1RAB9A |
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 |