Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL2141473 | 0.97 | ALDH1A1 (0.50) | ALDH1A1CYP3A4TSHR | |
| SCHEMBL10627755 | 0.84 | ALDH1A1 (0.75) | ALDH1A1CYP3A4TSHR | |
| SCHEMBL715639 | 0.84 | TSHR (0.65) | ALDH1A1CYP3A4TSHR | |
| SCHEMBL28542418 | 0.80 | ALDH1A1 (0.36) | ALDH1A1CYP3A4 | |
| SCHEMBL31403212 | 0.80 | CYP3A4 (0.39) | ALDH1A1CYP3A4TSHR | |
| SCHEMBL93504 | 0.80 | ALDH1A1 (0.42) | ALDH1A1CYP3A4 | |
| Ethylene SCHEMBL11248838 | 0.80 | ALDH1A1 (0.36) | ALDH1A1CYP3A4 | |
| SCHEMBL27792863 | 0.80 | CYP3A4 (0.77) | CYP3A4TSHR | |
| SCHEMBL3691036 | 0.79 | CYP3A4 (0.55) | ALDH1A1CYP3A4TSHR | |
| SCHEMBL3680820 | 0.77 | CYP3A4 (0.52) | ALDH1A1CYP3A4TSHR |
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 |
|---|---|---|---|---|---|---|---|
| US-RE30887-E | HALOGENATED PHOSPHATE ESTERS | OLIN CORPORATION (US) | 1982-03-23 | — | — | US | claimed |
| US-RE30887-E | HALOGENATED PHOSPHATE ESTERS | OLIN CORPORATION (US) | 1982-03-23 | — | — | US | disclosed |