Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 4/20 | 0.58 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.58 |
| ▸ | FPR1 | P21462 | 1/20 | 0.50 |
| ▸ | FPR2 | P25090 | 1/20 | 0.50 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.50 |
| ▸ | CTSA | P10619 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.48 |
| ▸ | MEN1 | O00255 | 2/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | CES2 | O00748 | 1/20 | 0.48 |
| ▸ | CES1 | P23141 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.47 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.47 |
| ▸ | KMO | O15229 | 2/20 | 0.47 |
| ▸ | PARP1 | P09874 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 3/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL7762502 | 0.88 | BCAT2 (0.56) | BCAT2CTSAKMT2AMEN1KDM4E | |
| SCHEMBL5724135 | 0.84 | PARP1 (0.56) | BCAT2CTSAKMT2AMEN1KDM4E | |
| SCHEMBL3234101 | 0.82 | BCAT2 (0.59) | BCAT2KMT2APARP1RAB9ANPC1 | |
| SCHEMBL5494348 | 0.80 | MAPK8 (0.51) | BCAT2CTSALMNAHTT | |
| SCHEMBL25295556 | 0.79 | ALDH1A1 (0.52) | BCAT2CTSAKMT2AMEN1KDM4E | |
| SCHEMBL25129319 | 0.78 | PTGS2 (0.63) | PTGS2PTGS1ADORA2AADORA1 | |
| SCHEMBL31074324 | 0.78 | PTGS2 (0.63) | PTGS2PTGS1ADORA2AADORA1 | |
| SCHEMBL5273765 | 0.78 | CASP1 (0.59) | PTGS2PTGS1FPR1FPR2BCAT2 | |
| SCHEMBL10316385 | 0.78 | HTT (0.57) | BCAT2ALDH1A1LMNAPARP1SMN1; SMN2 | |
| SCHEMBL18840053 | 0.76 | GAA (0.49) | KMT2AMEN1KDM4ECES2CES1 |
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-2019174279-A1 | 1,2-BENZISOSELENAZOL-3(2H)-ONE AND 1,2-BENZISOTHIAZOL-3(2H)-ONE DERIVATIVES AS BETA-LACTAM ANTIBIOTIC ADJUVANTS | THE HONG KONG POLYTECHNIC UNIVERSITY (CN) | 2019-09-19 | — | — | WO | disclosed |