Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK4 | P11802 | 4/20 | 0.68 |
| ▸ | CCND1 | P24385 | 4/20 | 0.68 |
| ▸ | HTR2A | P28223 | 1/20 | 0.59 |
| ▸ | HTR2C | P28335 | 1/20 | 0.59 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.55 |
| ▸ | LMNA | P02545 | 1/20 | 0.51 |
| ▸ | HTT | P42858 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | NTSR1 | P30989 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL10412119 | 1.00 | CDK4 (0.68) | CDK4CCND1HTR2AHTR2CMAPK1 | |
| SCHEMBL13005298 | 0.89 | CDK4 (0.70) | CDK4CCND1HTR2AHTR2CMAPK1 | |
| SCHEMBL31447915 | 0.84 | CDK4 (0.61) | CDK4CCND1HTR2AHTR2CMAPK1 | |
| SCHEMBL11366447 | 0.82 | CDK4 (1.00) | CDK4CCND1HTR2AHTR2CMAPK1 | |
| SCHEMBL9572684 | 0.81 | CDK4 (0.61) | CDK4CCND1HTR2AHTR2CMAPK1 | |
| SCHEMBL20280272 | 0.80 | CDK4 (0.56) | CDK4CCND1HTR2AHTR2CMAPK1 | |
| SCHEMBL19783670 | 0.80 | CDK4 (0.66) | CDK4CCND1HTR2AHTR2CMAPK1 | |
| SCHEMBL29372496 | 0.79 | CDK4 (0.76) | CDK4CCND1HTR2AHTR2CMAPK1 | |
| SCHEMBL3595410 | 0.79 | CDK4 (0.76) | CDK4CCND1HTR2AHTR2CMAPK1 | |
| SCHEMBL11959512 | 0.78 | CDK4 (0.64) | CDK4CCND1HTR2AHTR2CMAPK1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113004188-B | Indole derivative, preparation method and application | 沈阳药科大学 | 2022-09-20 | — | — | CN | disclosed |
| CN-113004187-B | Compound with function of inhibiting activity of organic anion transporter 1, preparation method and application | 沈阳药科大学 | 2022-09-20 | — | — | CN | disclosed |