Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRM1 | P35372 | 1/20 | 0.38 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.38 |
| ▸ | CHRNB2 | P17787 | 4/20 | 0.36 |
| ▸ | CHRNA3 | P32297 | 4/20 | 0.36 |
| ▸ | CHRNA4 | P43681 | 4/20 | 0.36 |
| ▸ | CHRNB3 | Q05901 | 2/20 | 0.36 |
| ▸ | CHRNA6 | Q15825 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | CHRNB4 | P30926 | 2/20 | 0.35 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.35 |
| ▸ | JAK2 | O60674 | 1/20 | 0.32 |
| ▸ | JAK1 | P23458 | 1/20 | 0.32 |
| ▸ | TYK2 | P29597 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.30 |
| ▸ | IDH1 | O75874 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL15743864 | 0.85 | CHRNB2 (0.40) | CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6 | |
| SCHEMBL14045169 | 0.85 | CHRNB2 (0.40) | CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6 | |
| SCHEMBL18361634 | 0.85 | CHRNB2 (0.40) | CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6 | |
| SCHEMBL11778685 | 0.78 | GAA (0.38) | TSHR | |
| SCHEMBL15198071 | 0.78 | ATM (0.34) | CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6 | |
| SCHEMBL11778126 | 0.77 | KMT2A (0.41) | OPRM1JAK2JAK1TYK2HTT | |
| SCHEMBL11777178 | 0.77 | HTR1A (0.41) | OPRM1MAPTTSHR | |
| SCHEMBL16490229 | 0.76 | CHRNB2 (0.39) | OPRM1OPRK1CHRNB2CHRNA3CHRNA4 | |
| Hydrochloric Acid SCHEMBL11776139 | 0.75 | HTR1A (0.40) | OPRM1MAPTTSHR | |
| SCHEMBL14899361 | 0.73 | CHRNB2 (0.44) | OPRM1OPRK1CHRNB2CHRNA3CHRNA4 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2019079373-A1 | PYRIMIDINE TBK/IKKε INHIBITOR COMPOUNDS AND USES THEREOF | MERCK PATENT GMBH (DE) | 2019-04-25 | — | — | WO | disclosed |