Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.46 |
| ▸ | HTR2A | P28223 | 1/20 | 0.39 |
| ▸ | HTR2C | P28335 | 1/20 | 0.39 |
| ▸ | PRKCI | P41743 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | MTNR1A | P48039 | 5/20 | 0.38 |
| ▸ | MTNR1B | P49286 | 5/20 | 0.38 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.35 |
| ▸ | CPS1 | P31327 | 1/20 | 0.35 |
| ▸ | MCL1 | Q07820 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | CHRNA7 | P36544 | 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 | |
|---|---|---|---|---|
| SCHEMBL29869916 | 0.79 | HTR2A (0.57) | CYP2A6HTR2AHTR2CMTNR1AMTNR1B | |
| SCHEMBL1093766 | 0.79 | HTR2A (0.57) | CYP2A6HTR2AHTR2CMTNR1AMTNR1B | |
| SCHEMBL4255274 | 0.77 | MTNR1A (0.49) | CYP2A6HTR2AHTR2CL3MBTL1MTNR1A | |
| SCHEMBL20072247 | 0.76 | CYP2A6 (0.47) | CYP2A6MTNR1AMTNR1B | |
| SCHEMBL593671 | 0.76 | CYP2A6 (0.50) | CYP2A6PRKCIL3MBTL1PIK3CBCHRNA7 | |
| SCHEMBL31326584 | 0.76 | CYP2A6 (0.50) | CYP2A6PRKCIL3MBTL1PIK3CBCHRNA7 | |
| SCHEMBL12605658 | 0.75 | BRD4 (0.51) | CYP2A6HTR2AHTR2CPRKCIL3MBTL1 | |
| SCHEMBL21966109 | 0.75 | CYP2A6 (0.46) | CYP2A6HTR2AHTR2CPRKCIL3MBTL1 | |
| SCHEMBL30444577 | 0.75 | NOTUM (0.42) | HTR2AHTR2C | |
| SCHEMBL26699112 | 0.75 | CYP2A6 (0.46) | CYP2A6PRKCIMTNR1AMTNR1BCPS1 |
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-115894455-B | Quinazoline compound, composition and application thereof | 北京赛特明强医药科技有限公司 | 2024-04-19 | — | — | CN | disclosed |