Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 2/20 | 0.40 |
| ▸ | CA1 | P00915 | 2/20 | 0.40 |
| ▸ | CA2 | P00918 | 2/20 | 0.40 |
| ▸ | CA7 | P43166 | 2/20 | 0.40 |
| ▸ | CA9 | Q16790 | 2/20 | 0.40 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.38 |
| ▸ | NPC1 | O15118 | 5/20 | 0.38 |
| ▸ | RAB9A | P51151 | 5/20 | 0.38 |
| ▸ | MEN1 | O00255 | 4/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | NQO2 | P16083 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | CCR1 | P32246 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL30250475 | 0.77 | CA1 (0.53) | CA12CA1CA2CA7CA9 | |
| SCHEMBL1134723 | 0.77 | CA1 (0.53) | CA12CA1CA2CA7CA9 | |
| SCHEMBL28581101 | 0.77 | CA12 (0.58) | CA12CA1CA2CA7CA9 | |
| SCHEMBL19126026 | 0.73 | HSP90AA1 (0.41) | CYP2A6ALDH1A1LMNAL3MBTL1TSHR | |
| SCHEMBL6449465 | 0.73 | CA1 (0.48) | CA12CA1CA2CA7CA9 | |
| SCHEMBL23611594 | 0.72 | CA12 (0.47) | CA12CA1CA2CA7CA9 | |
| SCHEMBL838442 | 0.71 | MAPT (0.54) | CA12CA1CA2CA7CA9 | |
| SCHEMBL14127541 | 0.71 | CA12 (0.62) | CA12CA1CA2CA7CA9 | |
| SCHEMBL29558143 | 0.71 | CA12 (0.62) | CA12CA1CA2CA7CA9 | |
| SCHEMBL30294336 | 0.71 | MAPT (0.54) | CA12CA1CA2CA7CA9 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5693668-A | SILYLATED AROMATIC FLUOROKETONES; ALZHEIMER'S DISEASE; SENILE DEMENTIA; MYATHENIA GRAVIS; MUSCULAR DYSTROPHY; GLAUCOMA; TRANSDERMAL PATCHES | MERRELL PHARMACEUTICALS INC. (US) | 1997-12-02 | — | — | US | disclosed |
| EP-0409676-B1 | Novel acetylcholinesterase inhibitors | MERRELL DOW PHARMA (US) | 1995-03-08 | — | — | EP | disclosed |
| EP-0409676-A1 | Novel acetylcholinesterase inhibitors | MERRELL DOW PHARMACEUTICALS INC. (US) | 1991-01-23 | — | — | EP | disclosed |
| EP-0403713-A1 | Novel acetylcholinesterase inhibitors | MERRELL DOW PHARMACEUTICALS INC. (US) | 1990-12-27 | — | — | EP | disclosed |