Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NAPRT | Q6XQN6 | 2/20 | 0.59 |
| ▸ | PARP1 | P09874 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 4/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | HPGD | P15428 | 3/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | AHR | P35869 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | BLM | P54132 | 1/20 | 0.39 |
| ▸ | AGER | Q15109 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL31078773 | 0.93 | NAPRT (0.68) | NAPRTPARP1MAPTHTTLMNA | |
| SCHEMBL447126 | 0.93 | NAPRT (0.68) | NAPRTPARP1MAPTHTTLMNA | |
| Hydrochloric Acid SCHEMBL5013375 | 0.91 | NAPRT (0.66) | NAPRTPARP1MAPTHTTLMNA | |
| SCHEMBL30901792 | 0.79 | NAPRT (0.70) | NAPRTPARP1MAPTHTTLMNA | |
| SCHEMBL310265 | 0.79 | NAPRT (0.70) | NAPRTPARP1MAPTHTTLMNA | |
| Hydrochloric Acid SCHEMBL11788163 | 0.77 | NAPRT (0.68) | NAPRTPARP1MAPTHTTLMNA | |
| Formic Acid SCHEMBL31754231 | 0.77 | CES2 (0.56) | PARP1MAPTHTTLMNAKDM4E | |
| SCHEMBL27612856 | 0.77 | NAPRT (0.73) | NAPRTPARP1MAPTHTTLMNA | |
| SCHEMBL6997009 | 0.76 | NAPRT (0.66) | NAPRTPARP1MAPTHTTLMNA | |
| SCHEMBL30475725 | 0.75 | NAPRT (0.59) | NAPRTPARP1MAPTHTTLMNA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3060550-A2 | HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF | Merck Patent GmbH (DE) | 2016-08-31 | — | — | EP | disclosed |
| WO-2015061247-A2 | HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF | MERCK PATENT GMBH (DE) | 2015-04-30 | — | — | WO | disclosed |