Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.49 |
| ▸ | PTAFR | P25105 | 1/20 | 0.48 |
| ▸ | MAOB | P27338 | 4/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | ERCC5 | P28715 | 1/20 | 0.45 |
| ▸ | FEN1 | P39748 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.43 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.43 |
| ▸ | KCNK9 | Q9NPC2 | 1/20 | 0.43 |
| ▸ | MAOA | P21397 | 3/20 | 0.42 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 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 | |
|---|---|---|---|---|
| SCHEMBL10397703 | 1.00 | PARP1 (0.49) | PARP1PTAFRMAOBALDH1A1GAA | |
| SCHEMBL10397702 | 1.00 | PARP1 (0.49) | PARP1PTAFRMAOBALDH1A1GAA | |
| Bicarbonate SCHEMBL9520835 | 0.82 | PARP1 (0.47) | PARP1PTAFRMAOBALDH1A1GAA | |
| Bicarbonate SCHEMBL9519284 | 0.82 | PARP1 (0.47) | PARP1PTAFRMAOBALDH1A1GAA | |
| SCHEMBL4098216 | 0.81 | CES2 (0.53) | PTAFRMAOBALDH1A1MAPTHTT | |
| SCHEMBL4098224 | 0.81 | CES2 (0.53) | PTAFRMAOBALDH1A1MAPTHTT | |
| SCHEMBL4098220 | 0.81 | CES2 (0.53) | PTAFRMAOBALDH1A1MAPTHTT | |
| SCHEMBL10397905 | 0.80 | CES2 (0.52) | PARP1PTAFRHPGDHCAR2KCNK3 | |
| SCHEMBL3938716 | 0.80 | CES2 (0.52) | PARP1PTAFRHPGDHCAR2KCNK3 | |
| SCHEMBL3938710 | 0.80 | CES2 (0.52) | PARP1PTAFRHPGDHCAR2KCNK3 |
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-4975438-A | ANTICOAGULANT | HOFFMANN-LA ROCHE INC. (US) | 1990-12-04 | — | — | US | disclosed |
| US-4788206-A | CARDIOVASCULAR DISORDERS, PLATELETS | HOFFMANN-LA ROCHE INC. (US) | 1988-11-29 | — | — | US | disclosed |