Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 12/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.42 |
| ▸ | USP2 | O75604 | 7/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 7/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 5/20 | 0.42 |
| ▸ | HPGD | P15428 | 5/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.42 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 7/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.41 |
| ▸ | PARP14 | Q460N5 | 2/20 | 0.41 |
| ▸ | PARP10 | Q53GL7 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.40 |
| ▸ | TSHR | P16473 | 3/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | FAAH | O00519 | 1/20 | 0.39 |
| ▸ | BTK | Q06187 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.39 |
| ▸ | SCN9A | Q15858 | 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 | |
|---|---|---|---|---|
| SCHEMBL16670513 | 0.91 | BTK (0.48) | PARP14PARP10BTK | |
| SCHEMBL16670437 | 0.90 | ALDH1A1 (0.42) | CYP3A4ALDH1A1USP2HSD17B10HIF1A | |
| SCHEMBL16670631 | 0.90 | BTK (0.39) | CYP3A4ALDH1A1USP2HSD17B10HIF1A | |
| SCHEMBL16670630 | 0.90 | BTK (0.39) | CYP3A4ALDH1A1USP2HSD17B10HIF1A | |
| SCHEMBL16676710 | 0.89 | CYP11B2 (0.41) | CYP3A4ALDH1A1USP2HSD17B10HPGD | |
| SCHEMBL16670479 | 0.86 | SLC6A2 (0.54) | PARP14PARP10SCN9ASLC6A2SLC6A4 | |
| SCHEMBL16671508 | 0.85 | CYP3A4 (0.41) | CYP3A4ALDH1A1USP2HSD17B10HIF1A | |
| SCHEMBL16671083 | 0.84 | BTK (0.55) | BTK | |
| SCHEMBL16671870 | 0.83 | SLC6A2 (0.50) | CYP3A4ALDH1A1USP2HSD17B10HPGD | |
| SCHEMBL16676752 | 0.82 | PARP10 (0.48) | USP2PARP14PARP10BTKSCN9A |
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 |