Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | HCRTR2 | O43614 | 3/20 | 0.36 |
| ▸ | HCRTR1 | O43613 | 2/20 | 0.36 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.35 |
| ▸ | FAAH | O00519 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.35 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.35 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.35 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.35 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.35 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.35 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL20998606 | 0.92 | TDP1 (0.39) | TDP1MAPTHCRTR2HCRTR1 | |
| SCHEMBL28106063 | 0.87 | CHRNB2 (0.47) | TDP1 | |
| SCHEMBL16670224 | 0.84 | BTK (0.43) | TDP1HCRTR2HCRTR1 | |
| SCHEMBL20998697 | 0.81 | BTK (0.40) | SYK | |
| SCHEMBL20998693 | 0.76 | TDP1 (0.43) | TDP1OPRK1SYK | |
| SCHEMBL21101322 | 0.76 | PTGER4 (0.36) | TDP1HCRTR2HCRTR1 | |
| SCHEMBL16670390 | 0.76 | BTK (0.42) | SYK | |
| SCHEMBL16670385 | 0.76 | BTK (0.42) | SYK | |
| SCHEMBL16670617 | 0.75 | BTK (0.54) | — | |
| SCHEMBL16670840 | 0.75 | CHRNB2 (0.48) | SYK |
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-3060550-B1 | HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF | MERCK PATENT GMBH (DE) | 2019-05-15 | — | — | EP | disclosed |