Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.52 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.52 |
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | ATM | Q13315 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | ERCC5 | P28715 | 1/20 | 0.45 |
| ▸ | FEN1 | P39748 | 1/20 | 0.45 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.42 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.42 |
| ▸ | TAS1R2 | Q8TE23 | 1/20 | 0.42 |
| ▸ | RECQL | P46063 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.41 |
| ▸ | JAK2 | O60674 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | S1PR2 | O95136 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL5663870 | 0.86 | CYP3A4 (0.53) | L3MBTL1TSHRCYP3A4ALDH1A1HSD17B10 | |
| SCHEMBL27794808 | 0.81 | L3MBTL1 (0.56) | L3MBTL1ALOX12TSHRATMERCC5 | |
| SCHEMBL3316733 | 0.81 | L3MBTL1 (0.46) | L3MBTL1FEN1ALDH1A1MEN1LMNA | |
| SCHEMBL11418791 | 0.79 | TSHR (0.63) | L3MBTL1ALOX12TSHRATMCYP3A4 | |
| SCHEMBL5666596 | 0.77 | L3MBTL1 (0.44) | L3MBTL1CYP3A4ALDH1A1NPC1LMNA | |
| SCHEMBL27312748 | 0.77 | ALDH1A1 (0.66) | L3MBTL1ALOX12TSHRATMCYP3A4 | |
| SCHEMBL29566931 | 0.76 | TSHR (0.63) | L3MBTL1ALOX12TSHRATMERCC5 | |
| SCHEMBL36590 | 0.76 | TSHR (0.63) | L3MBTL1ALOX12TSHRATMERCC5 | |
| SCHEMBL5955449 | 0.76 | TSHR (0.63) | L3MBTL1ALOX12TSHRATMERCC5 | |
| SCHEMBL5666270 | 0.76 | CYP3A4 (0.53) | L3MBTL1TSHRCYP3A4ALDH1A1HSD17B10 |
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 |