Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.52 |
| ▸ | MAPT | P10636 | 4/20 | 0.47 |
| ▸ | NPC1 | O15118 | 5/20 | 0.44 |
| ▸ | RAB9A | P51151 | 4/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.41 |
| ▸ | RELA | Q04206 | 1/20 | 0.41 |
| ▸ | KLF5 | Q13887 | 2/20 | 0.41 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | KDM5A | P29375 | 1/20 | 0.40 |
| ▸ | KDM5C | P41229 | 1/20 | 0.40 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL6984356 | 0.88 | SMN1; SMN2 (0.53) | SMN1; SMN2MAPTNPC1RAB9ATP53 | |
| SCHEMBL7408662 | 0.83 | GRM7 (0.47) | MAPTTSHR | |
| SCHEMBL6979412 | 0.82 | NAMPT (0.49) | SMN1; SMN2MAPTNPC1RAB9ATP53 | |
| Hydrochloric Acid SCHEMBL7956410 | 0.81 | F2 (0.52) | SMN1; SMN2MAPTNPC1RAB9ATP53 | |
| SCHEMBL7085009 | 0.79 | TP53 (0.49) | SMN1; SMN2MAPTTP53 | |
| SCHEMBL6981022 | 0.79 | TP53 (0.51) | TP53USP30 | |
| SCHEMBL7410691 | 0.78 | ALDH1A1 (0.54) | SMN1; SMN2MAPTTP53MAPK1 | |
| SCHEMBL6977738 | 0.76 | TP53 (0.51) | SMN1; SMN2MAPTNPC1RAB9ATP53 | |
| Hydrochloric Acid SCHEMBL6986749 | 0.76 | SMN1; SMN2 (0.46) | SMN1; SMN2MAPTNPC1RAB9ATP53 | |
| SCHEMBL7948557 | 0.76 | TP53 (0.45) | SMN1; SMN2MAPTTP53TSHR |
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-0991624-A1 | PHENYLALKYL DERIVATIVES WITH THROMBIN-INHIBITING EFFECT | Boehringer Ingelheim Pharma KG (DE) | 2000-04-12 | — | — | EP | disclosed |
| WO-1999000371-A1 | PHENYLALKYL DERIVATIVES WITH THROMBIN-INHIBITING EFFECT | BOEHRINGER INGELHEIM PHARMA KG (DE) | 1999-01-07 | — | — | WO | disclosed |