Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | TP53 | P04637 | 2/20 | 0.42 |
| ▸ | RAPGEF4 | Q8WZA2 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 4/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | FLT1 | P17948 | 1/20 | 0.40 |
| ▸ | FLT4 | P35916 | 1/20 | 0.40 |
| ▸ | KDR | P35968 | 1/20 | 0.40 |
| ▸ | CRHR1 | P34998 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | HTR2A | P28223 | 1/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL28352 | 0.86 | — | — | |
| SCHEMBL29351078 | 0.86 | — | — | |
| SCHEMBL5075941 | 0.84 | CYP3A4 (0.54) | CYP3A4ALDH1A1TP53RAPGEF4TSHR | |
| Hydrochloric Acid SCHEMBL11827454 | 0.84 | CYP3A4 (0.54) | CYP3A4ALDH1A1TP53RAPGEF4TSHR | |
| Ammonia Solution, Strong SCHEMBL1642091 | 0.84 | CYP3A4 (0.54) | CYP3A4ALDH1A1TP53RAPGEF4TSHR | |
| SCHEMBL7631814 | 0.83 | ALDH1A1 (0.45) | CYP3A4ALDH1A1TP53RAPGEF4TSHR | |
| SCHEMBL11424116 | 0.79 | ALDH1A1 (0.42) | CYP3A4ALDH1A1TP53RAPGEF4TSHR | |
| SCHEMBL112040 | 0.78 | — | — | |
| SCHEMBL5617689 | 0.78 | CYP3A4 (0.41) | CYP3A4ALDH1A1TP53RAPGEF4TSHR | |
| SCHEMBL5422262 | 0.77 | CYP3A4 (0.48) | CYP3A4ALDH1A1TP53TSHRTDP1 |
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 |
|---|---|---|---|---|---|---|---|
| US-6063162-A | ABSORPTION BY DICHLOROTOLUENE | OCCIDENTAL CHEMICAL CORPORATION (US) | 2000-05-16 | — | — | US | claimed |