Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 5/20 | 0.74 |
| ▸ | MAPT | P10636 | 2/20 | 0.74 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.74 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.74 |
| ▸ | AR | P10275 | 2/20 | 0.59 |
| ▸ | ESR1 | P03372 | 1/20 | 0.55 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.55 |
| ▸ | KARS1 | Q15046 | 4/20 | 0.52 |
| ▸ | RXRA | P19793 | 1/20 | 0.52 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.52 |
| ▸ | CDK2 | P24941 | 1/20 | 0.52 |
| ▸ | RXRB | P28702 | 1/20 | 0.52 |
| ▸ | RXRG | P48443 | 1/20 | 0.52 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 3/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL14201538 | 0.91 | CYP3A4 (0.74) | CYP3A4MAPTALOX15ALDH1A1AR | |
| SCHEMBL3212768 | 0.90 | CYP3A4 (0.78) | CYP3A4MAPTALOX15ALDH1A1AR | |
| SCHEMBL20364223 | 0.90 | CYP3A4 (0.78) | CYP3A4MAPTALOX15ALDH1A1AR | |
| 7-Oxocallitrisic Acid, Methyl Ester SCHEMBL15339316 | 0.85 | CYP3A4 (1.00) | CYP3A4MAPTALOX15ALDH1A1AR | |
| SCHEMBL3706021 | 0.83 | CYP3A4 (0.69) | CYP3A4MAPTALOX15ALDH1A1AR | |
| SCHEMBL15344775 | 0.83 | CYP3A4 (0.81) | CYP3A4MAPTALOX15ALDH1A1AR | |
| SCHEMBL31291111 | 0.81 | AR (0.68) | CYP3A4MAPTALOX15ALDH1A1AR | |
| SCHEMBL15388987 | 0.80 | CYP3A4 (0.64) | CYP3A4MAPTALOX15ALDH1A1AR | |
| SCHEMBL15388986 | 0.80 | CYP3A4 (0.64) | CYP3A4MAPTALOX15ALDH1A1AR | |
| SCHEMBL19283113 | 0.79 | CYP3A4 (0.74) | CYP3A4MAPTALOX15ALDH1A1AR |
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-2008061720-A2 | USE OF TRICYCLIC DITERPENES AND THEIR DERIVATIVES FOR THE TREATMENT, CO-TREATMENT OR PREVENTION OF INFLAMMATORY DISORDERS AND/OR JOINT DISORDERS | DSM IP ASSETS B.V. (NL) | 2008-05-29 | — | — | WO | disclosed |