Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.33 |
| ▸ | TXN | P10599 | 1/20 | 0.33 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.33 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.33 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.33 |
| ▸ | PARP1 | P09874 | 3/20 | 0.32 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.32 |
| ▸ | SCN10A | Q9Y5Y9 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL2901651 | 0.82 | NPSR1 (0.53) | L3MBTL1ALDH1A1SMN1; SMN2NPSR1PARP1 | |
| SCHEMBL3499660 | 0.76 | NUDT1 (0.48) | ALDH1A1 | |
| SCHEMBL211307 | 0.76 | ALDH1A1 (0.43) | ALDH1A1SMN1; SMN2PARP1KDM4EGAA | |
| SCHEMBL16095983 | 0.73 | — | — | |
| SCHEMBL5525401 | 0.72 | — | — | |
| SCHEMBL8470141 | 0.72 | — | — | |
| SCHEMBL7017594 | 0.71 | KDM4E (0.32) | ALDH1A1SMN1; SMN2KDM4E | |
| SCHEMBL7021216 | 0.71 | DDAH1 (0.53) | L3MBTL1ALDH1A1SMN1; SMN2ADORA3ADORA2A | |
| SCHEMBL7014749 | 0.71 | LMNA (0.33) | ALDH1A1GAAMAPT | |
| SCHEMBL6197934 | 0.70 | RAB9A (0.50) | ALDH1A1SMN1; SMN2MAPT |
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-2003053941-A2 | BARBITURIC ACID DERIVATIVES AS INHIBITORS OF TNF-ALPHA CONVERTING ENZYME (TACE) AND/OR MATRIX METALLOPROTEINASES | BRISTOL-MYERS SQUIBB COMPANY (US) | 2003-07-03 | — | — | WO | disclosed |