Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.47 |
| ▸ | ROCK2 | O75116 | 6/20 | 0.47 |
| ▸ | ROCK1 | Q13464 | 6/20 | 0.47 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.46 |
| ▸ | PRKCZ | Q05513 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | CCNE1 | P24864 | 2/20 | 0.43 |
| ▸ | CDK2 | P24941 | 2/20 | 0.43 |
| ▸ | CDK5 | Q00535 | 2/20 | 0.43 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.42 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.40 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.40 |
| ▸ | CNR1 | P21554 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL22288198 | 0.98 | LMNA (0.49) | LMNACYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL21917256 | 0.91 | LMNA (0.52) | LMNACYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL1231195 | 0.87 | CYP11B2 (0.46) | LMNACYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL22288150 | 0.85 | TNF (0.45) | LMNACYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL19284583 | 0.84 | PRKCZ (0.48) | LMNACYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL30368871 | 0.84 | PRKCZ (0.48) | LMNACYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL27609067 | 0.81 | CYP1A2 (0.46) | LMNACYP1A2CYP3A4CYP2D6CYP2C9 | |
| Cyclohexane SCHEMBL22288135 | 0.79 | TDP1 (0.44) | CYP11B2PRKCZCNR1CNR2 | |
| SCHEMBL11665783 | 0.79 | TDP1 (0.44) | CYP11B2PRKCZCNR1CNR2 | |
| SCHEMBL4047901 | 0.78 | SLC6A4 (0.54) | CYP1A2CYP2D6CYP2C9CYP2C19KDM4E |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114956933-A | Marker containing isotope oxygen atom and preparation method and application thereof | 清华大学 | 2022-08-30 | — | — | CN | disclosed |
| CN-111517902-B | Aerobic oxidation system containing sulfinic acid, sulfonic acid or derivatives thereof and photo-oxidation promoting method thereof | 清华大学 | 2022-06-14 | — | — | CN | disclosed |
| CN-111517902-A | Aerobic oxidation system containing sulfinic acid, sulfonic acid or derivatives thereof and photo-oxidation promoting method thereof | 清华大学 | 2020-08-11 | — | — | CN | disclosed |