Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.69 |
| ▸ | GAA | P10253 | 1/20 | 0.66 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.66 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.65 |
| ▸ | AKR1C3 | P42330 | 4/20 | 0.62 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.62 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.62 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.57 |
| ▸ | MEN1 | O00255 | 1/20 | 0.57 |
| ▸ | USP2 | O75604 | 1/20 | 0.57 |
| ▸ | HTT | P42858 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL20267430 | 0.94 | GAA (0.73) | TSHRGAASMN1; SMN2ALDH1A1CYP2C9 | |
| SCHEMBL7121916 | 0.87 | SMN1; SMN2 (0.77) | TSHRGAASMN1; SMN2ALDH1A1KMT2A | |
| SCHEMBL16026538 | 0.85 | ALDH1A1 (0.79) | TSHRGAASMN1; SMN2ALDH1A1KMT2A | |
| SCHEMBL5349455 | 0.79 | SMN1; SMN2 (0.67) | TSHRGAASMN1; SMN2ALDH1A1KMT2A | |
| SCHEMBL4827189 | 0.78 | ALDH1A1 (0.69) | TSHRSMN1; SMN2ALDH1A1KMT2AMEN1 | |
| SCHEMBL28746642 | 0.78 | ALDH1A1 (0.63) | TSHRGAASMN1; SMN2ALDH1A1CYP2C9 | |
| Hydrochloric Acid SCHEMBL17559454 | 0.78 | SMN1; SMN2 (0.65) | TSHRGAASMN1; SMN2ALDH1A1KMT2A | |
| SCHEMBL7964773 | 0.78 | TSHR (0.79) | TSHRSMN1; SMN2ALDH1A1AKR1C3CYP2C9 | |
| SCHEMBL28144057 | 0.77 | GAA (0.56) | TSHRGAASMN1; SMN2ALDH1A1CYP2C9 | |
| SCHEMBL11887769 | 0.77 | L3MBTL1 (0.81) | TSHRSMN1; SMN2ALDH1A1KMT2AMEN1 |
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-5714470-A | PENTAFLUORO ALKYL TERMINATED PEPTIDE DERIVATIVES; TREATMENT OF INFLAMMATORY DISEASES, EMPHYSEMA AND CHRONIC BRONCHITIS | MERRELL PHARMACEUTICALS, INC. (US) | 1998-02-03 | — | — | US | disclosed |