Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 3/20 | 1.00 |
| ▸ | TP53 | P04637 | 1/20 | 1.00 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.70 |
| ▸ | HCAR3 | P49019 | 2/20 | 0.57 |
| ▸ | MAPT | P10636 | 6/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.49 |
| ▸ | MEN1 | O00255 | 3/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | CTSV | O60911 | 2/20 | 0.47 |
| ▸ | CTSL | P07711 | 2/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL3885646 | 0.83 | ALDH1A1 (1.00) | HTTTP53ALDH1A1HCAR3MAPT | |
| SCHEMBL11306379 | 0.78 | HTT (0.63) | HTTTP53ALDH1A1MAPTKMT2A | |
| SCHEMBL8292564 | 0.78 | TP53 (0.63) | HTTTP53ALDH1A1MAPTCYP3A4 | |
| SCHEMBL6589180 | 0.78 | HTT (0.63) | HTTTP53ALDH1A1MAPTCYP3A4 | |
| SCHEMBL1524806 | 0.78 | ALDH3A1 (0.65) | HTTTP53ALDH1A1HCAR3MAPT | |
| SCHEMBL3895339 | 0.78 | HTT (0.63) | HTTTP53ALDH1A1HCAR3MAPT | |
| SCHEMBL11577825 | 0.77 | ALDH1A1 (0.73) | HTTTP53ALDH1A1HCAR3MAPT | |
| SCHEMBL11576314 | 0.77 | ALDH1A1 (0.73) | HTTTP53ALDH1A1HCAR3MAPT | |
| SCHEMBL6846910 | 0.77 | TP53 (0.62) | HTTTP53ALDH1A1HCAR3MAPT | |
| SCHEMBL17368891 | 0.77 | HTT (0.61) | HTTTP53ALDH1A1HCAR3MAPT |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109678815-B | N-benzyl benzamide derivative and preparation method and pharmaceutical application thereof | 中国药科大学 | 2022-11-29 | — | — | CN | disclosed |
| EP-1828200-B1 | BI- AND TRICYCLIC SUBSTITUTED PHENYL METHANONES AS GLYCINE TRANSPORTER I (GLYT-1) INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE. | HOFFMANN LA ROCHE (CH) | 2010-02-17 | — | — | EP | disclosed |
| CN-100586951-C | Bi- and tricyclic substituted benzophenones as glycine transporter l(GlyT-1) inhibitors for the treatment of alzheimer's disease. | HOFFMANN LA ROCHE | 2010-02-03 | — | — | CN | disclosed |
| US-7375226-B2 | Bi- and tricyclic substituted phenyl methanones | HOFFMAN-LA ROCHE INC. (US) | 2008-05-20 | — | — | US | disclosed |
| CN-101076532-A | Bi- and tricyclic substituted phenyl methanones as glycine transporter i (glyt-1) inhibitors for the treatment of alzheimer's disease. | HOFFMANN LA ROCHE (CH) | 2007-11-21 | — | — | CN | disclosed |
| EP-1828200-A1 | BI- AND TRICYCLIC SUBSTITUTED PHENYL METHANONES AS GLYCINE TRANSPORTER I (GLYT-1) INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE. | F. Hoffmann-Roche AG (CH) | 2007-09-05 | — | — | EP | disclosed |
| WO-2006063709-A1 | BI- AND TRICYCLIC SUBSTITUTED PHENYL METHANONES AS GLYCINE TRANSPORTER I (GLYT-1) INHIBITORS FOR THE TREATMENT OF ALZHEIMER’S DISEASE | F.HOFFMANN-LA ROCHE AG (CH) | 2006-06-22 | — | — | WO | disclosed |