Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9140413 | 0.81 | ACHE (0.34) | ACHETSHRL3MBTL1MEN1CYP1A2 | |
| SCHEMBL7710940 | 0.77 | ACHE (0.38) | ACHETSHRL3MBTL1 | |
| SCHEMBL8971318 | 0.75 | MEN1 (0.45) | TSHRL3MBTL1MEN1CYP1A2KMT2A | |
| SCHEMBL9142655 | 0.70 | NPC1 (0.37) | L3MBTL1MEN1KMT2A | |
| SCHEMBL22034591 | 0.69 | TSHR (0.36) | TSHRL3MBTL1MEN1CYP1A2KMT2A | |
| SCHEMBL3842819 | 0.66 | ACHE (0.35) | ACHETSHRL3MBTL1MEN1CYP1A2 | |
| SCHEMBL271779 | 0.65 | THRB (0.38) | TSHR | |
| SCHEMBL10343591 | 0.64 | MEN1 (0.38) | ACHETSHRL3MBTL1MEN1CYP1A2 | |
| SCHEMBL7715865 | 0.63 | ACHE (0.39) | ACHETSHRL3MBTL1 | |
| Butane SCHEMBL7710937 | 0.63 | FDPS (0.37) | — |
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 |