Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 4/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 3/20 | 0.36 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.36 |
| ▸ | HTR3B | O95264 | 1/20 | 0.36 |
| ▸ | HTR3A | P46098 | 1/20 | 0.36 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.36 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | GFER | P55789 | 1/20 | 0.36 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.36 |
| ▸ | CHRNG | P07510 | 1/20 | 0.36 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.36 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL28408749 | 0.80 | PRSS1 (0.40) | SMN1; SMN2NPC1RAB9AHTTL3MBTL1 | |
| SCHEMBL21112088 | 0.72 | — | — | |
| SCHEMBL4340369 | 0.68 | SMN1; SMN2 (0.40) | CYP3A4SMN1; SMN2HPGDMAPT | |
| SCHEMBL15820155 | 0.68 | ESR1 (0.38) | SMN1; SMN2MAPTALDH1A1GAA | |
| SCHEMBL21112089 | 0.68 | — | — | |
| SCHEMBL230854 | 0.67 | TDP1 (0.44) | SMN1; SMN2HPGDHTTALDH1A1GAA | |
| SCHEMBL15304564 | 0.67 | LMNA (0.44) | CYP3A4NPC1L3MBTL1ALDH1A1 | |
| SCHEMBL15820158 | 0.67 | ESR1 (0.37) | MAPTALDH1A1GAA | |
| SCHEMBL10778405 | 0.67 | HPGD (0.51) | CYP3A4SMN1; SMN2NPC1RAB9AHPGD | |
| Ammonia Solution, Strong SCHEMBL17670037 | 0.66 | TDP1 (0.42) | SMN1; SMN2HPGDHTTALDH1A1GAA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2013142328-A1 | SMALL MOLECULE ANTAGONISTS OF PF4 CONTAINING ULTRA LARGE COMPLEXES | THE TRUSTEES OF THE UNIVERSITY OF PENSYLVANIA (US) | 2013-09-26 | — | — | WO | disclosed |
| WO-2013142328-A1 | SMALL MOLECULE ANTAGONISTS OF PF4 CONTAINING ULTRA LARGE COMPLEXES | THE TRUSTEES OF THE UNIVERSITY OF PENSYLVANIA (US) | 2013-09-26 | — | — | WO | disclosed |
| WO-2009033183-A2 | COMPOUNDS AND METHODS FOR TREATMENT OF HCV AND CONDITIONS ASSOCIATED WITH CD81 BINDING | UNIVERSITY OF FLORIDA RESEARCH FOUNDATION (US) | 2009-03-12 | — | — | WO | disclosed |