Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK4 | P11802 | 4/20 | 0.37 |
| ▸ | CCND1 | P24385 | 4/20 | 0.37 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | HTR2A | P28223 | 1/20 | 0.34 |
| ▸ | HTR2C | P28335 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | HTR6 | P50406 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| Ethoxycarbonyl Group SCHEMBL27807521 | 0.83 | CDK4 (0.38) | CDK4CCND1NOTUMLMNAKMT2A | |
| Ethoxycarbonyl Group SCHEMBL27487577 | 0.83 | CYP2A6 (0.42) | CDK4CCND1NOTUMLMNAKMT2A | |
| Ethoxycarbonyl Group SCHEMBL27992846 | 0.81 | CDK4 (0.37) | CDK4CCND1NOTUMLMNAKMT2A | |
| Ethoxycarbonyl Group SCHEMBL27580247 | 0.81 | NOTUM (0.40) | CDK4CCND1NOTUMLMNAKMT2A | |
| Ethoxycarbonyl Group SCHEMBL27934321 | 0.81 | CDK4 (0.37) | CDK4CCND1NOTUMLMNAKMT2A | |
| Ethoxycarbonyl Group SCHEMBL27669238 | 0.79 | SLC6A2 (0.43) | CDK4CCND1NOTUMKMT2AHTR2A | |
| Naphthalene SCHEMBL27488215 | 0.77 | ALDH1A1 (0.40) | LMNAKMT2AMAPK1CYP1A2HTT | |
| SCHEMBL1324646 | 0.77 | CDK4 (0.50) | CDK4CCND1NOTUMLMNAKMT2A | |
| SCHEMBL29689846 | 0.77 | CDK4 (0.50) | CDK4CCND1NOTUMLMNAKMT2A | |
| Ethoxycarbonyl Group SCHEMBL28781242 | 0.77 | HTR2A (0.50) | CDK4CCND1LMNAKMT2AHTR2A |
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-101326173-A | Thiadiazoles derivant as anti-diabetes agent | NOVARTIS AG (CH) | 2008-12-17 | — | — | CN | disclosed |