Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | MAOB | P27338 | 3/20 | 0.35 |
| ▸ | USP2 | O75604 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | DPP4 | P27487 | 1/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | BIRC5 | O15392 | 1/20 | 0.33 |
| ▸ | PIM1 | P11309 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL30779698 | 1.00 | MAPK1 (0.37) | MAPK1CYP1A2SMN1; SMN2MAOBUSP2 | |
| SCHEMBL30779714 | 0.85 | MAOB (0.36) | MAPK1SMN1; SMN2MAOBHPGDTSHR | |
| SCHEMBL29123410 | 0.85 | MAOB (0.36) | MAPK1SMN1; SMN2MAOBHPGDTSHR | |
| SCHEMBL29122912 | 0.82 | MAOB (0.41) | MAPK1CYP1A2MAOBATM | |
| SCHEMBL29123169 | 0.81 | TP53 (0.50) | MAPK1CYP1A2MAOBATM | |
| SCHEMBL29122623 | 0.81 | CYP1A2 (0.39) | MAPK1CYP1A2MAOBTSHRATM | |
| SCHEMBL29123312 | 0.81 | CYP1A2 (0.39) | MAPK1CYP1A2MAOBATM | |
| SCHEMBL29122954 | 0.78 | ADORA2A (0.41) | MAPK1CYP1A2MAOB | |
| SCHEMBL29123157 | 0.73 | MAOB (0.38) | MAPK1CYP1A2MAOBATM | |
| SCHEMBL30525254 | 0.73 | ADORA2A (0.41) | MAOBDPP4 |
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 |
|---|---|---|---|---|---|---|---|
| CN-117186045-A | Isobenzofuran-1 (3H) -ketone TREK-1 inhibitor, preparation method, pharmaceutical composition and application thereof | 中国医学科学院药物研究所 | 2023-12-08 | — | — | CN | disclosed |