Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL13541606 | 0.84 | ALDH1A1 (0.35) | ALDH1A1CYP3A4GAANPSR1KDM4E | |
| SCHEMBL7029478 | 0.82 | TSHR (0.35) | ALDH1A1CYP3A4GAANPSR1KDM4E | |
| SCHEMBL11515034 | 0.81 | ALDH1A1 (0.36) | ALDH1A1CYP3A4GAANPSR1MEN1 | |
| SCHEMBL11596411 | 0.80 | CYP3A4 (0.35) | ALDH1A1CYP3A4GAANPSR1MEN1 | |
| SCHEMBL8150189 | 0.78 | TRPM8 (0.34) | ALDH1A1CYP3A4GAANPSR1 | |
| SCHEMBL8971191 | 0.78 | — | — | |
| SCHEMBL5407738 | 0.78 | NPSR1 (0.39) | ALDH1A1CYP3A4GAANPSR1KDM4E | |
| SCHEMBL10613882 | 0.77 | ALDH1A1 (0.31) | ALDH1A1CYP3A4GAANPSR1 | |
| SCHEMBL11593847 | 0.77 | CYP3A4 (0.37) | ALDH1A1CYP3A4GAANPSR1KDM4E | |
| SCHEMBL11593856 | 0.77 | PPARD (0.40) | ALDH1A1CYP3A4GAANPSR1MEN1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5567840-A | AS 4-AMINOBUTYRIC ACID AGONIST; MUSCLE RELAXANTS | CIBA-GEIGY CORPORATION (US) | 1996-10-22 | — | — | US | disclosed |
| US-5461040-A | Therapy of spinal spacticity, multiple sclerosis, cerebral palsy, trigeminus neuralgia, drug withdrawal, pain | CIBA-GEIGY CORPORATION (US) | 1995-10-24 | — | — | US | disclosed |
| EP-0399949-B1 | Substituted aminoalkylphosphinic acids | CIBA GEIGY AG (CH) | 1995-04-12 | — | — | EP | disclosed |
| US-5281747-A | Pharmaceuticals | CIBA-GEIGY CORPORATION (US) | 1994-01-25 | — | — | US | disclosed |
| EP-0399949-A1 | Substituted aminoalkylphosphinic acids | CIBA-GEIGY AG (CH) | 1990-11-28 | — | — | EP | disclosed |