Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMURF2 | Q9HAU4 | 1/20 | 0.42 |
| ▸ | SMURF1 | Q9HCE7 | 1/20 | 0.42 |
| ▸ | ACMSD | Q8TDX5 | 2/20 | 0.41 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | CASP1 | P29466 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | DHODH | Q02127 | 2/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
| ▸ | ACLY | P53396 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.35 |
| ▸ | QDPR | P09417 | 1/20 | 0.35 |
| ▸ | PDE4A | P27815 | 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 | |
|---|---|---|---|---|
| SCHEMBL13544473 | 0.85 | TSHR (0.55) | SMURF2SMURF1ACMSDMRGPRX4TSHR | |
| SCHEMBL18075472 | 0.84 | SMURF2 (0.44) | SMURF2SMURF1ACMSDMRGPRX4HPGD | |
| SCHEMBL18296100 | 0.84 | KMT2A (0.47) | SMURF2SMURF1ACMSDMRGPRX4HPGD | |
| SCHEMBL17261759 | 0.80 | SMURF2 (0.41) | SMURF2SMURF1ACMSDMRGPRX4SMN1; SMN2 | |
| SCHEMBL21434787 | 0.80 | MAPT (0.60) | SMURF2SMURF1MRGPRX4HPGDNPC1 | |
| SCHEMBL3576543 | 0.80 | SLC6A3 (0.46) | SMURF2SMURF1MRGPRX4SMN1; SMN2SLC6A2 | |
| SCHEMBL5031791 | 0.77 | ACMSD (0.64) | SMURF2SMURF1ACMSDTSHRCASP1 | |
| SCHEMBL8470022 | 0.76 | ACMSD (0.50) | SMURF2SMURF1ACMSDSMN1; SMN2CYP2D6 | |
| SCHEMBL18298942 | 0.76 | SMURF2 (0.39) | SMURF2SMURF1ACMSDMRGPRX4SMN1; SMN2 | |
| SCHEMBL17261711 | 0.76 | CYP4F2 (0.47) | SMURF2SMURF1MRGPRX4HPGDTSHR |
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-2016196776-A2 | INHIBITORS OF BRUTON'S TYROSINE KINASE | PHARMACYCLICS LLC. (US) | 2016-12-08 | — | — | WO | disclosed |