Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.46 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.46 |
| ▸ | BAD | Q92934 | 1/20 | 0.46 |
| ▸ | NOS3 | P29474 | 1/20 | 0.42 |
| ▸ | NOS1 | P29475 | 1/20 | 0.42 |
| ▸ | NOS2 | P35228 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | CES1 | P23141 | 5/20 | 0.40 |
| ▸ | KIF11 | P52732 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | PNMT | P11086 | 1/20 | 0.37 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA7 | P43166 | 1/20 | 0.36 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.35 |
| ▸ | MAOA | P21397 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 1/20 | 0.35 |
| ▸ | RAPGEF4 | Q8WZA2 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL1278375 | 0.93 | BCL2L1 (0.52) | PARP1BCL2L1BADNOS3NOS1 | |
| SCHEMBL9461283 | 0.90 | BCL2L1 (0.50) | PARP1BCL2L1BADNOS3NOS1 | |
| SCHEMBL21962215 | 0.82 | PARP1 (0.37) | PARP1BCL2L1BADNOS3NOS1 | |
| SCHEMBL6202610 | 0.82 | HTR2C (0.57) | PARP1PNMT | |
| SCHEMBL8663172 | 0.80 | BCL2L1 (0.43) | PARP1BCL2L1BADNOS3NOS1 | |
| SCHEMBL18482309 | 0.78 | HTR2C (0.36) | PARP1BCL2L1BADNOS3NOS1 | |
| SCHEMBL20634317 | 0.78 | NOS3 (0.39) | PARP1BCL2L1BADNOS3NOS1 | |
| SCHEMBL29573959 | 0.78 | NOS3 (0.39) | PARP1BCL2L1BADNOS3NOS1 | |
| SCHEMBL31187624 | 0.78 | HTR2C (0.36) | PARP1BCL2L1BADNOS3NOS1 | |
| SCHEMBL30502757 | 0.78 | HTR2C (0.63) | PARP1BCL2L1BADNOS3NOS1 |
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-2021210920-A1 | METHOD FOR PRODUCING RAMELTEON, AND INTERMEDIATE COMPOUND USED FOR SAME | 제이투에이치바이오텍 주식회사 | 2021-10-21 | — | — | WO | disclosed |