Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK4 | P11802 | 4/20 | 0.66 |
| ▸ | CCND1 | P24385 | 4/20 | 0.66 |
| ▸ | HTR2A | P28223 | 1/20 | 0.53 |
| ▸ | HTR2C | P28335 | 1/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | SMPD1 | P17405 | 1/20 | 0.44 |
| ▸ | HTR6 | P50406 | 1/20 | 0.44 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL13005298 | 0.87 | CDK4 (0.70) | CDK4CCND1HTR2AHTR2CMAPK1 | |
| SCHEMBL11959512 | 0.83 | CDK4 (0.64) | CDK4CCND1HTR2AHTR2CMAPK1 | |
| SCHEMBL10412119 | 0.80 | CDK4 (0.68) | CDK4CCND1HTR2AHTR2CMAPK1 | |
| SCHEMBL29928685 | 0.80 | CDK4 (0.68) | CDK4CCND1HTR2AHTR2CMAPK1 | |
| SCHEMBL2357919 | 0.78 | CDK4 (0.78) | CDK4CCND1HTR2AHTR2CMAPK1 | |
| SCHEMBL29374771 | 0.78 | CDK4 (0.78) | CDK4CCND1HTR2AHTR2CMAPK1 | |
| SCHEMBL464099 | 0.78 | CDK4 (0.78) | CDK4CCND1HTR2AHTR2CMAPK1 | |
| SCHEMBL15178200 | 0.77 | CDK4 (0.60) | CDK4CCND1HTR2AHTR2CMAPK1 | |
| SCHEMBL11366447 | 0.76 | CDK4 (1.00) | CDK4CCND1HTR2AHTR2CMAPK1 | |
| SCHEMBL19149348 | 0.76 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2018010932-A1 | CATALYTIC CARBOXYLATION OF ACTIVATED ALKANES AND/OR OLEFINS | FUNDACIÓ INSTITUT CATALÀ D'INVESTIGACIÓ QUÍMICA (ES) | 2018-01-18 | — | — | WO | disclosed |