Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 2/20 | 0.52 |
| ▸ | F2 | P00734 | 1/20 | 0.52 |
| ▸ | TSHR | P16473 | 5/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | MAPT | P10636 | 3/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.42 |
| ▸ | CES2 | O00748 | 2/20 | 0.41 |
| ▸ | CES1 | P23141 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL6868882 | 0.83 | LMNA (0.56) | LMNAF2TSHRMAPK1HIF1A | |
| SCHEMBL11059861 | 0.79 | TSHR (0.55) | LMNAF2TSHRMAPK1HIF1A | |
| SCHEMBL28706308 | 0.78 | LMNA (0.61) | LMNAF2TSHRMAPK1HIF1A | |
| SCHEMBL11229100 | 0.76 | TDP1 (0.52) | LMNAF2TSHRMAPK1HIF1A | |
| SCHEMBL27622624 | 0.76 | TDP1 (0.52) | LMNAF2TSHRMAPK1HIF1A | |
| SCHEMBL9446028 | 0.76 | MAPK1 (0.48) | LMNAF2TSHRMAPK1HIF1A | |
| Benzoyl Peroxide SCHEMBL6268778 | 0.76 | LMNA (0.81) | LMNAF2TSHRMAPK1HIF1A | |
| SCHEMBL28898522 | 0.76 | LMNA (0.58) | LMNAF2TSHRMAPK1HIF1A | |
| SCHEMBL6423362 | 0.75 | TSHR (0.55) | LMNAF2TSHRMAPK1HIF1A | |
| SCHEMBL1742375 | 0.75 | LMNA (0.52) | LMNAF2TSHRMAPK1HIF1A |
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 |
|---|---|---|---|---|---|---|---|
| US-6576614-B1 | Administering methyl ketones or closed hemiketal derivatives of aspartic acid | VERTEX PHARMACEUTICALS INCORPORATED | 2003-06-10 | — | — | US | disclosed |
| US-5985838-A | TREATING INFECTIOUS DISEASE, RESPIRATORY DISEASE, INFLAMMATORY CONDITIONS, IMMUNE-BASED DISEASE, AUTO-IMMUNE DISEASE, BONE DISEASE, AND TUMORS | VERTEX PHARMACEUTICALS, INC. (US) | 1999-11-16 | — | — | US | disclosed |