Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.56 |
| ▸ | MAOA | P21397 | 1/20 | 0.56 |
| ▸ | MAOB | P27338 | 1/20 | 0.56 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | CES1 | P23141 | 1/20 | 0.44 |
| ▸ | NOS3 | P29474 | 2/20 | 0.44 |
| ▸ | DRD4 | P21917 | 1/20 | 0.43 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.42 |
| ▸ | CYP19A1 | P11511 | 5/20 | 0.42 |
| ▸ | CYP11B1 | P15538 | 5/20 | 0.42 |
| ▸ | CYP11B2 | P19099 | 5/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | MIF | P14174 | 1/20 | 0.42 |
| ▸ | G6PC1 | P35575 | 1/20 | 0.40 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.39 |
| ▸ | BCHE | P06276 | 2/20 | 0.38 |
| ▸ | NOS2 | P35228 | 1/20 | 0.38 |
| ▸ | ACHE | P22303 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL29795287 | 1.00 | CYP2A6 (0.56) | CYP2A6MAOAMAOBTSHRL3MBTL1 | |
| SCHEMBL1822219 | 1.00 | CYP2A6 (0.56) | CYP2A6MAOAMAOBTSHRL3MBTL1 | |
| SCHEMBL6691916 | 0.95 | TSHR (0.55) | CYP2A6MAOAMAOBTSHRL3MBTL1 | |
| SCHEMBL29370260 | 0.85 | CES1 (0.54) | CYP2A6MAOAMAOBTSHRL3MBTL1 | |
| SCHEMBL66102 | 0.85 | CES1 (0.54) | CYP2A6MAOAMAOBTSHRL3MBTL1 | |
| SCHEMBL30505637 | 0.82 | CYP2A6 (0.68) | CYP2A6MAOAMAOBTSHRL3MBTL1 | |
| SCHEMBL3103992 | 0.82 | CYP2A6 (0.68) | CYP2A6MAOAMAOBTSHRL3MBTL1 | |
| SCHEMBL30436320 | 0.79 | CYP2A6 (0.65) | CYP2A6MAOAMAOBTSHRL3MBTL1 | |
| SCHEMBL9652088 | 0.79 | CYP2A6 (0.65) | CYP2A6MAOAMAOBTSHRL3MBTL1 | |
| SCHEMBL568779 | 0.76 | TSHR (0.71) | CYP2A6MAOAMAOBTSHRL3MBTL1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118159548-A | Antiviral compounds | 安力高医药股份有限公司 | 2024-06-07 | — | — | CN | disclosed |
| EP-4366831-A1 | ANTI-VIRAL COMPOUNDS | Aligos Therapeutics, Inc. (US) | 2024-05-15 | — | — | EP | disclosed |
| EP-4247369-A1 | SPIROCYCLIC-SUBSTITUTED 6,7-DIHYDRO-PYRANO[2,3-D]PYRIMIDINE INHIBITORS OF KRAS G12C MUTANT | Merck Sharp & Dohme LLC (US) | 2023-09-27 | — | — | EP | disclosed |
| WO-2023283256-A1 | ANTI-VIRAL COMPOUNDS | ALIGOS THERAPEUTICS, INC. (US) | 2023-01-12 | — | — | WO | disclosed |
| CN-113880871-B | Preparation method of saturated monoboron compound | 中国科学院兰州化学物理研究所 | 2022-08-23 | — | — | CN | disclosed |
| WO-2022109487-A1 | SPIROCYCLIC-SUBSTITUTED 6,7-DIHYDRO-PYRANO[2,3-D]PYRIMIDINE INHIBITORS OF KRAS G12C MUTANT | MERCK SHARP & DOHME CORP. (US) | 2022-05-27 | — | — | WO | disclosed |