Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL7065033 | 0.78 | — | — | |
| Acetic Acid SCHEMBL28146343 | 0.72 | FFAR3 (0.39) | TSHRALDH1A1 | |
| SCHEMBL9416833 | 0.69 | ALDH1A1 (0.47) | TSHRALDH1A1CYP2D6CYP2C19HIF1A | |
| SCHEMBL8394090 | 0.69 | TSHR (0.47) | TSHRALDH1A1CYP2D6CYP2C19HIF1A | |
| SCHEMBL8751772 | 0.68 | — | — | |
| SCHEMBL17464400 | 0.67 | ALDH1A1 (0.44) | TSHRALDH1A1CYP2D6CYP2C19HIF1A | |
| SCHEMBL15767062 | 0.67 | — | — | |
| SCHEMBL3561294 | 0.67 | ALDH1A1 (0.33) | TSHRALDH1A1 | |
| SCHEMBL93261 | 0.67 | — | — | |
| SCHEMBL754334 | 0.65 | TDP1 (0.31) | TSHRALDH1A1 |
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-7850990-B2 | Compositions for delivery of drug combinations | CELATOR PHARMACEUTICALS, INC. (US) | 2010-12-14 | — | — | US | disclosed |