Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 3/20 | 0.44 |
| ▸ | NOS1 | P29475 | 3/20 | 0.44 |
| ▸ | NOS2 | P35228 | 3/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | RAD52 | P43351 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | TERT | O14746 | 1/20 | 0.36 |
| ▸ | NQO1 | P15559 | 1/20 | 0.35 |
| ▸ | HEXA | P06865 | 1/20 | 0.34 |
| ▸ | HEXB | P07686 | 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 | |
|---|---|---|---|---|
| SCHEMBL9753602 | 1.00 | NOS3 (0.44) | NOS3NOS1NOS2CYP3A4TSHR | |
| SCHEMBL3220307 | 0.85 | NOS3 (0.48) | NOS3NOS1NOS2CYP3A4TSHR | |
| SCHEMBL20280105 | 0.81 | CYP3A4 (0.43) | NOS3NOS1NOS2CYP3A4TSHR | |
| SCHEMBL27454384 | 0.81 | CYP3A4 (0.43) | NOS3NOS1NOS2CYP3A4TSHR | |
| Hydrochloric Acid SCHEMBL27496477 | 0.79 | CYP3A4 (0.42) | NOS3NOS1NOS2CYP3A4TSHR | |
| SCHEMBL694204 | 0.78 | NOS3 (0.41) | NOS3NOS1NOS2CYP3A4TSHR | |
| SCHEMBL24455092 | 0.77 | CD44 (0.41) | NOS3NOS1NOS2CYP3A4LMNA | |
| SCHEMBL18697135 | 0.77 | NOS3 (0.39) | NOS3NOS1NOS2LMNACYP1A2 | |
| SCHEMBL29693617 | 0.77 | LMNA (0.44) | NOS3NOS1NOS2CYP3A4TSHR | |
| SCHEMBL30037705 | 0.77 | LMNA (0.44) | NOS3NOS1NOS2CYP3A4TSHR |
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-109748857-A | A kind of synthetic method of 2,3,5- trimethyl -6- bromopyridine | 丹阳市易通安全技术服务有限公司 | 2019-05-14 | — | — | CN | disclosed |